Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3922171

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.44
▸ KCNA3 P22001 1/20 0.44
▸ CA12 O43570 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ TBK1 Q9UHD2 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ IDO1 P14902 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
SCHEMBL3920158 0.89 PIM1 (0.50) PIM1KCNA3CA12CA9KDM4E
Trifluoroacetic Acid SCHEMBL3913747 0.88 KCNA3 (0.44) KCNA3CA12CA9CA1CA2
Trifluoroacetic Acid SCHEMBL3911643 0.87 KCNA3 (0.44) KCNA3CA12CA9KDM4EHDAC1
Trifluoroacetic Acid SCHEMBL3913356 0.87 HTR2C (0.45) KCNA3KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL3913777 0.85 KDM4E (0.46) KCNA3CA12CA9KDM4ETP53
Trifluoroacetic Acid SCHEMBL3923252 0.83 KCNA3 (0.46) KCNA3CA12CA9CA1CA2
Trifluoroacetic Acid SCHEMBL3925125 0.83 KCNA3 (0.45) KCNA3CA12CA9HDAC1CA1
Trifluoroacetic Acid SCHEMBL3923214 0.82 CA12 (0.37) PIM1KCNA3CA12CA9CA1
Trifluoroacetic Acid SCHEMBL3913954 0.82 KCNA3 (0.40) KCNA3CA12CA9KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL5728404 0.81 HTR2C (0.44) KCNA3KDM4EHSD17B10

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 PIM1 1107/4885KCNA3 3807/4885CA12 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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