Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3170206

O=C(COc1ccc(-c2ccc(F)cc2)nc1)Nc1ccccc1F.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 3/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
POLB P06746 3/20 0.46
ALDH1A1 P00352 2/20 0.45
HAVCR2 Q8TDQ0 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHIT1 Q13231 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL8452485 0.94 NPC1 (0.61) NPC1RAB9AKMT2AKDM4EPKM
Trifluoroacetic Acid SCHEMBL3174533 0.86 KMT2A (0.53) NPC1RAB9AKMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3164328 0.85 LMNA (0.47) NPC1RAB9AKMT2AKDM4EPKM
Trifluoroacetic Acid SCHEMBL3163768 0.81 LDHA (0.51) NPC1KMT2ARXFP1
Trifluoroacetic Acid SCHEMBL3180765 0.80 NPC1 (0.67) NPC1RAB9AKMT2AKDM4EPKM
SCHEMBL8452358 0.79 KMT2A (0.60) NPC1RAB9AKMT2AALDH1A1HAVCR2
SCHEMBL8469703 0.78 RAB9A (0.52) NPC1RAB9AKMT2AKDM4EPKM
SCHEMBL5696752 0.76 HCAR2 (0.64) NPC1RAB9AKMT2AKDM4EPOLB
SCHEMBL3170216 0.75 DGAT1 (0.42) NPC1RAB9AKMT2AKDM4EPKM
Hydrochloric Acid SCHEMBL5696447 0.75 HCAR2 (0.62) NPC1RAB9AKMT2AKDM4EPOLB

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 NPC1 2911/4885RAB9A 3124/4885KMT2A 1573/4885

“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.