Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5217152

CCOC(=O)c1sc(C(N)=O)c(C#N)c1C.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
HPGD P15428 9/20 0.37
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
BRCA1 P38398 1/20 0.36
BRAF P15056 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 10/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
HTT P42858 4/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB1 P19838 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL5210732 0.85 MAPT (0.35) ALDH1A1HPGDKMT2AMEN1LMNA
Trifluoroacetic Acid SCHEMBL5207834 0.80 PDE4D (0.41) ALDH1A1HPGDKMT2AMEN1LMNA
Trifluoroacetic Acid SCHEMBL5211679 0.79 OPRM1 (0.32) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5209084 0.79 MAPT (0.32) LMNAMAPTHTTPOLBTP53
Trifluoroacetic Acid SCHEMBL5208832 0.79 OPRM1 (0.35) HPGDLMNAMAPTHTTTP53
Trifluoroacetic Acid SCHEMBL5209515 0.78 MAPT (0.40) ALDH1A1HPGDKMT2AMEN1LMNA
Trifluoroacetic Acid SCHEMBL5206475 0.78 PTGER4 (0.34) ALDH1A1KMT2AMEN1LMNAMAPT
Trifluoroacetic Acid SCHEMBL5210556 0.78 CXCR2 (0.43) ALDH1A1KMT2AMEN1LMNAKDM4E
Trifluoroacetic Acid SCHEMBL5208921 0.77 PCSK9 (0.39) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5207793 0.77 PDE4D (0.40) ALDH1A1HPGDLMNAKDM4EMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 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 (2 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ALDH1A1 2580/4885HPGD 807/4885KMT2A 2346/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ALDH1A1 1335/4885HPGD 1054/4885KMT2A 3553/4885

“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.