Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3913356

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.45
▸ KCNA3 P22001 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ MAOB P27338 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ TTR P02766 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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 SCHEMBL3923252 0.97 KCNA3 (0.46) HTR2CKCNA3ALDH1A1MCL1MAOB
Trifluoroacetic Acid SCHEMBL3925125 0.96 KCNA3 (0.45) HTR2CKCNA3ALDH1A1MCL1MAOB
Trifluoroacetic Acid SCHEMBL5728404 0.94 HTR2C (0.44) HTR2CKCNA3ALDH1A1MCL1MAOB
SCHEMBL3911254 0.89 KCNA3 (0.49) KCNA3ALDH1A1MCL1MAOBTSHR
Trifluoroacetic Acid SCHEMBL3913747 0.88 KCNA3 (0.44) KCNA3
Trifluoroacetic Acid SCHEMBL3910499 0.87 ALDH1A1 (0.51) HTR2CKCNA3ALDH1A1MCL1PPARA
Trifluoroacetic Acid SCHEMBL3911643 0.87 KCNA3 (0.44) HTR2CKCNA3ALDH1A1PPARATTR
Trifluoroacetic Acid SCHEMBL3922171 0.87 PIM1 (0.44) KCNA3KDM4EHSD17B10
SCHEMBL3920121 0.86 KCNA3 (0.51) KCNA3ALDH1A1MAOBTSHR
Trifluoroacetic Acid SCHEMBL3912558 0.86 HTR2C (0.39) HTR2CKCNA3ALDH1A1MCL1MAOB

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 HTR2C 2770/4885KCNA3 3807/4885ALDH1A1 169/4885

“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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