Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 5/20 | 0.42 |
| ▸ | PTGS2 known ✓ | P35354 | 4/20 | 0.42 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4210524 | 0.82 | PTGS1 (0.45) | PTGS1PTGS2MMP8TSHRPSEN1 | |
| SCHEMBL19121839 | 0.82 | PTGS1 (0.45) | PTGS1PTGS2MMP8TSHRLMNA | |
| SCHEMBL31074078 | 0.81 | ADRB1 (0.45) | PTGS1PTGS2MMP8TSHRLMNA | |
| SCHEMBL3905021 | 0.81 | ADRB1 (0.45) | PTGS1PTGS2MMP8TSHRLMNA | |
| SCHEMBL7799722 | 0.80 | KMT2A (0.39) | PTGS2MMP8TSHRMEN1KMT2A | |
| SCHEMBL11189555 | 0.79 | ALDH1A1 (0.46) | PTGS1PTGS2MMP8TSHRLMNA | |
| SCHEMBL6163227 | 0.79 | SMN1; SMN2 (0.48) | PTGS1PTGS2MMP8TSHRMEN1 | |
| SCHEMBL11100405 | 0.79 | PTGS1 (0.43) | PTGS1PTGS2MMP8TSHRKMT2A | |
| SCHEMBL16322386 | 0.79 | PSEN1 (0.49) | PTGS1PTGS2MMP8MEN1KMT2A | |
| SCHEMBL28929197 | 0.79 | PTGS1 (0.43) | PTGS1PTGS2MMP8TSHRLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010014694-A1 | Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin | ENCYSIVE PHARMACEUTICALS, INC. | 2001-08-16 | — | — | US | disclosed |
| US-6265428-B1 | VASODILATION | TEXAS BIOTECHNOLOGY CORPORATION | 2001-07-24 | — | — | US | disclosed |
| US-5977117-A | Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0876364-A2 | SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025321-A2 | SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1997-07-17 | — | — | 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 (1 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-20010014694-A1 | Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin | EDNRA, EDNRB, NPR1 | PTGS1 265/4885PTGS2 546/4885CA12 4549/4885 |
“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.