Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28222242 | 0.89 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1SMN1; SMN2KCNJ1DPP4 | |
| Trifluoroacetic Acid SCHEMBL2989718 | 0.89 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1KCNJ1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL1505073 | 0.86 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1KCNJ1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL28293684 | 0.86 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1KCNJ1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL8721639 | 0.86 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1KCNJ1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL28538609 | 0.83 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1KCNJ1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL3746765 | 0.81 | DPP4 (0.37) | ALDH1A1L3MBTL1KCNJ1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL7276384 | 0.81 | DPP4 (0.37) | ALDH1A1L3MBTL1KCNJ1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL16467201 | 0.81 | ALDH1A1 (0.33) | ALDH1A1L3MBTL1SMN1; SMN2KCNJ1DPP4 | |
| Tetrahydrofuran SCHEMBL1704980 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2FFAR3LCKFYN |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1754475-B1 | Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases | IDUN PHARMACEUTICALS INC (US) | 2009-09-16 | — | — | EP | disclosed |
| US-7183260-B2 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | IDUN PHARMACEUTICALS, INC. (US) | 2007-02-27 | — | — | US | disclosed |
| EP-1754475-A1 | Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases | Idun Pharmaceuticals, Inc. (US) | 2007-02-21 | — | — | EP | disclosed |
| US-7157430-B2 | (Substituted)acyl dipeptidyl inhibitors of the ICE/CED-3 family of cysteine proteases | IDUN PHARMACEUTICALS, INC. (US) | 2007-01-02 | — | — | US | disclosed |
| US-7053056-B2 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | IDUN PHARMACEUTICALS, INC. (US) | 2006-05-30 | — | — | US | disclosed |
| US-20050020504-A1 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | IDUN PHARMACEUTICALS, INC. (US) | 2005-01-27 | — | — | US | disclosed |
| US-20040259804-A1 | (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases | IDUN PHARMACEUTICALS, INC. | 2004-12-23 | — | — | US | disclosed |
| CN-1525978-A | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | 伊邓药品公司 | 2004-09-01 | — | — | CN | disclosed |
| US-20030232788-A1 | (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases | IDUN PHARMACEUTICALS, INC. | 2003-12-18 | — | — | US | disclosed |
| EP-1351975-A2 | C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2003-10-15 | — | — | EP | disclosed |
| US-6544951-B2 | Antiinflammatory agents; autoimmune diseases, nervous system degradation | IDUN PHARMACEUTICALS, INC. | 2003-04-08 | — | — | US | disclosed |
| WO-2002057298-A2 | C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2002-07-25 | — | — | WO | disclosed |
| US-20020091089-A1 | (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases | KARANEWSKY DONALD S (US) | 2002-07-11 | — | — | US | disclosed |
| US-20020042376-A1 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases | CONATUS PHARMACEUTICALS, INC. | 2002-04-11 | — | — | US | disclosed |
| US-20020028774-A1 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | CONATUS PHARMACEUTICALS, INC. | 2002-03-07 | — | — | US | disclosed |
| CN-1313846-A | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases | IDUN PHARMACEUTICALS INC (US) | 2001-09-19 | — | — | CN | disclosed |
| EP-1123272-A1 | (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2001-08-16 | — | — | EP | disclosed |
| US-6242422-B1 | (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases | IDUN PHARMACUETICALS, INC. | 2001-06-05 | — | — | US | disclosed |
| US-6197750-B1 | ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS | IDUN PHARMACEUTICALS, INC. | 2001-03-06 | — | — | US | disclosed |
| WO-2000023421-A1 | (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2000-04-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020028774-A1 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | CASP3, DPP3, IAPP | ALDH1A1 4170/4885L3MBTL1 578/4885SMN1; SMN2 1710/4885 |
| US-20030232788-A1 | (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases | DPP3, IAPP, CASP3 | ALDH1A1 2658/4885L3MBTL1 981/4885SMN1; SMN2 2648/4885 |
| US-20020091089-A1 | (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases | DPP3, IAPP, CASP3 | ALDH1A1 2658/4885L3MBTL1 981/4885SMN1; SMN2 2648/4885 |
| US-20050020504-A1 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | CASP3, DPP3, IAPP | ALDH1A1 4170/4885L3MBTL1 578/4885SMN1; SMN2 1710/4885 |
| US-20020042376-A1 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases | CASP3, IAPP, DPP3 | ALDH1A1 4157/4885L3MBTL1 557/4885SMN1; SMN2 1578/4885 |
| US-20040259804-A1 | (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases | DPP3, IAPP, CASP3 | ALDH1A1 2658/4885L3MBTL1 981/4885SMN1; SMN2 2648/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.