Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4394071

N=C(N)NCCC[C@H](N)C(O)c1nc2ccccc2s1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALOX5 P09917 2/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ TPSAB1 Q15661 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ UHRF1 Q96T88 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL12226039 0.80 LOXL2 (0.44) HPGDCYP1A2CYP2C9CYP2C19HIF1A
Trifluoroacetic Acid SCHEMBL20560866 0.76 PRSS1 (0.51) PRSS1TPSAB1L3MBTL1
Trifluoroacetic Acid SCHEMBL20560863 0.76 PRSS1 (0.51) PRSS1TPSAB1L3MBTL1
Trifluoroacetic Acid SCHEMBL20560902 0.74 PRSS1 (0.49) PRSS1TPSAB1
Trifluoroacetic Acid SCHEMBL20561386 0.74 PRSS1 (0.51) PRSS1TPSAB1NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL20561389 0.74 PRSS1 (0.51) PRSS1TPSAB1NPC1RAB9ASMN1; SMN2
SCHEMBL5635112 0.73 CYP2C9 (0.46) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL5047017 0.73 L3MBTL1 (0.44) HPGDALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL29732021 0.73 L3MBTL1 (0.44) HPGDALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL8305596 0.73 L3MBTL1 (0.44) HPGDALOX5NPC1RAB9ASMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 — — US disclosed
US-20060293372-A1 Beta-sheet mimetics and methods relating to the use thereof MYRIAD GENETICS, INC. (US) 2006-12-28 — — US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 — — US disclosed
US-7125872-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2006-10-24 — — US disclosed
EP-1661566-A2 Use of beta-sheet mimetics as protease and kinase inhibitors and as inhibitors of transcription factors MYRIAD GENETICS, INC. (US) 2006-05-31 — — EP disclosed
EP-0915700-B1 USE OF BETA-SHEET MIMETICS AS PROTEASE AND KINASE INHIBITORS AND AS INHIBITORS OF TRANSCRIPTION FACTORS MYRIAD GENETICS INC (US) 2006-03-22 — — EP disclosed
US-20040230035-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2004-11-18 — — US disclosed
US-6699869-B1 PROTEASE INHIBITORS, ANTICOAGULANT MYRIAD GENETICS INC. 2004-03-02 — — US disclosed
US-20030191109-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins KAHN MICHAEL (US) 2003-10-09 — — US disclosed
US-6586426-B1 Pyrrolizine derivatives; thrombin, elastase, and factor X inhibitors MOLECUMETICS LTD. 2003-07-01 — — US disclosed
EP-0815123-B1 BETA-SHEET MIMETICS AND USE THEREOF AS PROTEASE INHIBITORS MOLECUMETICS LTD (US) 2001-10-04 — — EP disclosed
US-6245764-B1 PROTEASE INHIBITORS; ANTICANCER AGENTS; IMMUNOLOGY CONTROLLERS; ANTIINFLAMMATORY AGENTS MOLECUMETICS LTD. 2001-06-12 — — US disclosed
US-6117896-A Methods for regulating transcription factors MOLECUMETICS LTD. (US) 2000-09-12 — — US disclosed
US-6020331-A β-sheet mimetics and use thereof as protease inhibitors MOLECUMETICS, LTD. (US) 2000-02-01 — — US disclosed
EP-0915700-A1 USE OF BETA-SHEET MIMETICS AS PROTEASE AND KINASE INHIBITORS AND AS INHIBITORS OF TRANSCRIPTION FACTORS MOLECUMETICS, LTD. (US) 1999-05-19 — — EP disclosed
WO-1998005333-A1 USE OF BETA-SHEET MIMETICS AS PROTEASE AND KINASE INHIBITORS AND AS INHIBITORS OF TRANSCRIPTION FACTORS MOLECUMETICS LTD. (US) 1998-02-12 — — WO disclosed
EP-0817642-A1 $g(b)-SHEET MIMETICS AND USE THEREOF AS INHIBITORS OF BIOLOGICALLY ACTIVE PEPTIDES OR PROTEINS MOLECUMETICS, LTD. (US) 1998-01-14 — — EP disclosed
EP-0815123-A1 $g(b)-SHEET MIMETICS AND USE THEREOF AS PROTEASE INHIBITORS MOLECUMETICS, LTD. (US) 1998-01-07 — — EP disclosed
WO-1996030035-A1 β-SHEET MIMETICS AND USE THEREOF AS INHIBITORS OF BIOLOGICALLY ACTIVE PEPTIDES OR PROTEINS MOLECUMETICS LTD. (US) 1996-10-03 — — WO disclosed
WO-1996030396-A1 β-SHEET MIMETICS AND USE THEREOF AS PROTEASE INHIBITORS MOLECUMETICS LTD. (US) 1996-10-03 — — 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 (3 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060293372-A1 Beta-sheet mimetics and methods relating to the use thereof SERBP1, PACSIN2, HGFAC HPGD 3963/4885CYP1A2 4861/4885CYP2C9 4880/4885
US-20030191109-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MICA, BMX, CD74 HPGD 4540/4885CYP1A2 4806/4885CYP2C9 4680/4885
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 HPGD 2295/4885CYP1A2 4448/4885CYP2C9 4515/4885

“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.

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