Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3171571

O=C(CCc1ccc(-c2ccccc2F)nc1)N1CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NAAA Q02083 1/20 0.49
USP19 O94966 2/20 0.47
KMT2A Q03164 1/20 0.45
GRIN2B Q13224 3/20 0.44
C3AR1 Q16581 1/20 0.44
RAB9A P51151 1/20 0.41
IL4I1 Q96RQ9 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.41

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 SCHEMBL3179511 0.82 CYP11B1 (0.46) NPC1IL4I1CYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL3169897 0.81 NAAA (0.49) NPC1TDP1NAAAGRIN2BC3AR1
SCHEMBL3164361 0.81 CYP11B1 (0.52) IL4I1CYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL3174133 0.80 GRIN2B (0.46) NPC1GRIN2BRAB9A
Trifluoroacetic Acid SCHEMBL3169886 0.80 PDK2 (0.51) NPC1KMT2AGRIN2BRAB9A
Trifluoroacetic Acid SCHEMBL3173659 0.80 ACE (0.46) RAB9AIL4I1
Trifluoroacetic Acid SCHEMBL3170072 0.79 DCK (0.48) NPC1TDP1NAAAKMT2AC3AR1
SCHEMBL3163787 0.75 KDM4E (0.45) NPC1RAB9AIL4I1CYP11B1CYP11B2
SCHEMBL3179376 0.75 CYP11B1 (0.51) NPC1IL4I1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3184100 0.74 CYP11B1 (0.50) NPC1USP19IL4I1CYP11B1CYP11B2

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 2911/4885TDP1 1551/4885NAAA 718/4885

“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.