Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3174533

O=C(COc1ccc(-c2ccc(F)cc2)nc1)Nc1ccc(F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
PTPN1 P18031 2/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.50
MLYCD O95822 2/20 0.48
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AHR P35869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CETP P11597 2/20 0.46
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
MAPK1 P28482 1/20 0.46
PORCN Q9H237 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL8452358 0.93 KMT2A (0.60) KMT2AMEN1PTPN1PTPN6PTPN11
Trifluoroacetic Acid SCHEMBL3170206 0.86 NPC1 (0.57) KMT2AALDH1A1MAPTNPC1RAB9A
Trifluoroacetic Acid SCHEMBL3163768 0.86 LDHA (0.51) KMT2AMEN1PTPN1PTPN6PTPN11
Trifluoroacetic Acid SCHEMBL3164328 0.85 LMNA (0.47) KMT2AMEN1HPGDALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3180765 0.84 NPC1 (0.67) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL8452485 0.78 NPC1 (0.61) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL8469703 0.77 RAB9A (0.52) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL9003839 0.76 NPC1 (0.76) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL3163775 0.76 RXFP1 (0.45) KMT2AMEN1PTPN1PTPN6PTPN11
Trifluoroacetic Acid SCHEMBL3179461 0.76 PTPN1 (0.51) PTPN1PTPN6PTPN11NPC1

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 KMT2A 1573/4885MEN1 3768/4885PTPN1 2335/4885

“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.