Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3173310

CC(C)(C)NC(=O)CNc1nc(-c2ccc(F)cc2)cs1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ KMT2A Q03164 5/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ PRKACA P17612 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ NPY5R Q15761 1/20 0.44

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
SCHEMBL9003427 0.94 ALDH1A1 (0.63) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
Trifluoroacetic Acid SCHEMBL3174446 0.86 LMNA (0.57) ALDH1A1RAB9ASMN1; SMN2KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL3173772 0.86 LMNA (0.57) ALDH1A1RAB9ANPC1KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL3170055 0.84 LMNA (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
Trifluoroacetic Acid SCHEMBL3164230 0.83 KMT2A (0.49) ALDH1A1RAB9ASMN1; SMN2KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL3177298 0.83 LMNA (0.52) ALDH1A1RAB9ASMN1; SMN2KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL3169649 0.81 KMT2A (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
Trifluoroacetic Acid SCHEMBL3179280 0.79 MMP2 (0.47) ALDH1A1RAB9ASMN1; SMN2KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL3171698 0.79 MMP2 (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL27045816 0.78 KMT2A (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 — — US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 — — US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 — — EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 — — EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 ALDH1A1 3253/4885RAB9A 3124/4885SMN1; SMN2 4713/4885

“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.

Send feedback