Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3923252

NCCCCOc1cc(=O)oc2ccc(Cl)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.46
▸ HTR2C P28335 2/20 0.45
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MCL1 Q07820 2/20 0.40
▸ TTR P02766 2/20 0.40
▸ MAOB P27338 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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 SCHEMBL3925125 0.99 KCNA3 (0.45) KCNA3HTR2CCA12CA1CA2
Trifluoroacetic Acid SCHEMBL3913356 0.97 HTR2C (0.45) KCNA3HTR2CALDH1A1MCL1TTR
Trifluoroacetic Acid SCHEMBL5728404 0.93 HTR2C (0.44) KCNA3HTR2CALDH1A1MCL1TTR
SCHEMBL3920121 0.90 KCNA3 (0.51) KCNA3CA12CA1CA9ALDH1A1
SCHEMBL3914736 0.89 KCNA3 (0.50) KCNA3CA12CA1CA9ALDH1A1
Trifluoroacetic Acid SCHEMBL3910499 0.86 ALDH1A1 (0.51) KCNA3HTR2CALDH1A1MCL1PPARA
SCHEMBL3911254 0.86 KCNA3 (0.49) KCNA3CA12CA1CA9ALDH1A1
Trifluoroacetic Acid SCHEMBL3912558 0.85 HTR2C (0.39) KCNA3HTR2CALDH1A1MCL1MAOB
Trifluoroacetic Acid SCHEMBL3913747 0.84 KCNA3 (0.44) KCNA3CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3922171 0.83 PIM1 (0.44) KCNA3CA12CA1CA2CA9

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 3807/4885HTR2C 2770/4885CA12 3287/4885

“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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