Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3169792

CN1CCN(C(=O)CCc2ccc(-c3ccc(F)cc3)s2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ME2 P23368 1/20 0.48
▸ ME1 P48163 1/20 0.48
▸ ME3 Q16798 1/20 0.48
▸ GFER P55789 1/20 0.41
▸ KDM1A O60341 3/20 0.41
▸ MAOB P27338 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ ADRA1A P35348 1/20 0.39

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
SCHEMBL8446282 0.93 HTT (0.54) HTTSMN1; SMN2ME2ME1ME3
Trifluoroacetic Acid SCHEMBL3179313 0.83 ME2 (0.44) HTTSMN1; SMN2ME2ME1ME3
SCHEMBL20796243 0.82 SMN1; SMN2 (0.50) HTTSMN1; SMN2ME2ME1ME3
SCHEMBL3163958 0.82 ME2 (0.49) SMN1; SMN2ME2ME1ME3
Trifluoroacetic Acid SCHEMBL5776834 0.76 HTT (0.46) HTTSMN1; SMN2ME2ME1ME3
SCHEMBL3169908 0.76 RPS6KB2 (0.49) SMN1; SMN2POLBL3MBTL1
SCHEMBL3164350 0.76 KMT2A (0.49) HTTSMN1; SMN2ME2ME1ME3
SCHEMBL3177317 0.74 ME2 (0.46) HTTSMN1; SMN2ME2ME1ME3
SCHEMBL20772371 0.73 KDM1A (0.48) HTTSMN1; SMN2ME2ME1ME3
SCHEMBL3180889 0.73 PARP1 (0.44) ME2ME1ME3GFERKDM1A

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 HTT 1967/4885SMN1; SMN2 4713/4885ME2 1009/4885

“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.

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