Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3913747

NCCCOc1cc(=O)oc2ccc(F)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.44
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NQO1 P15559 1/20 0.36
▸ AGER Q15109 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
SCHEMBL3918101 0.91 KCNA3 (0.49) KCNA3CA12CA1CA9NQO1
Trifluoroacetic Acid SCHEMBL3913356 0.88 HTR2C (0.45) KCNA3
Trifluoroacetic Acid SCHEMBL3911643 0.88 KCNA3 (0.44) KCNA3CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3922171 0.88 PIM1 (0.44) KCNA3CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3913777 0.86 KDM4E (0.46) KCNA3CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3923252 0.84 KCNA3 (0.46) KCNA3CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3925125 0.84 KCNA3 (0.45) KCNA3CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3913954 0.83 KCNA3 (0.40) KCNA3CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL5728404 0.82 HTR2C (0.44) KCNA3
Trifluoroacetic Acid SCHEMBL3911993 0.80 KCNA3 (0.60) KCNA3CA12CA1CA9PTGS2

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
EP-1667988-B1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMA INC (US) 2013-04-10 — — EP disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 — — EP disclosed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 — — WO disclosed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — US 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-20050054681-A1 Coumarins as iNOS inhibitors NOS2, NOS1, NOS3 KCNA3 3807/4885CA12 3287/4885CA1 934/4885

“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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