Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3179313

CN1CCN(C(=O)CCc2ccc(-c3ccccc3F)s2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 1/20 0.44
▸ ME1 P48163 1/20 0.44
▸ ME3 Q16798 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 3/20 0.37
▸ GNRHR P30968 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ GFER P55789 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3164350 0.94 KMT2A (0.49) ME2ME1ME3KMT2AKDM1A
SCHEMBL3171849 0.85 ME2 (0.46) ME2ME1ME3KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3169792 0.83 HTT (0.48) ME2ME1ME3KDM1AMAOA
SCHEMBL3164138 0.82 NPC1 (0.48) ME2ME1ME3KMT2AMEN1
SCHEMBL3173556 0.77 RPS6KB2 (0.53) KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL8446282 0.76 HTT (0.54) ME2ME1ME3KMT2AKDM1A
SCHEMBL8469898 0.74 PARP1 (0.47) ME2ME1ME3KMT2ATSHR
SCHEMBL3164302 0.73 RPS6KB2 (0.58) SMN1; SMN2LMNAL3MBTL1
Trifluoroacetic Acid SCHEMBL3617101 0.72 ESRRG (0.42) KMT2AHTTSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL3179646 0.71 LMNA (0.49) KMT2AHTTSMN1; SMN2TSHRMEN1

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 ME2 1009/4885ME1 1955/4885ME3 1048/4885

“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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