Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4367526

Cc1cccc(N(C)C(=O)Nc2ccc3[nH]c(-c4cscn4)nc3c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.43
METAP2 P50579 5/20 0.43
KDR P35968 4/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
FKBP1A P62942 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
IMPDH2 P12268 1/20 0.38
LMNA P02545 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
SCHEMBL4365151 0.94 METAP1 (0.48) METAP1METAP2KDRNPC1RAB9A
Trifluoroacetic Acid SCHEMBL4375624 0.93 METAP1 (0.43) METAP1METAP2NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4367678 0.91 METAP1 (0.43) METAP1METAP2NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4369542 0.91 METAP1 (0.45) METAP1METAP2NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4371212 0.88 METAP1 (0.40) METAP1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL4371096 0.87 METAP1 (0.50) METAP1METAP2NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4367766 0.87 METAP1 (0.39) METAP1METAP2NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4379297 0.87 METAP1 (0.45) METAP1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL4369435 0.86 METAP1 (0.48) METAP1METAP2NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4371829 0.86 METAP1 (0.43) METAP1METAP2NPC1RAB9ASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US claimed
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP claimed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP claimed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 WO claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US disclosed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 METAP1 3988/4885METAP2 4604/4885KDR 2254/4885

“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.