Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3923214

NCCCOc1cc(=O)oc2c(Br)cc(Br)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ NQO1 P15559 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2B P67870 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL3910547 0.89 NQO1 (0.40) NQO1GPR35KCNA3CSNK2A2CSNK2B
Trifluoroacetic Acid SCHEMBL3922171 0.82 PIM1 (0.44) CA12CA1CA2CA9KCNA3
Trifluoroacetic Acid SCHEMBL3913954 0.75 KCNA3 (0.40) CA12CA1CA2CA9KCNA3
Trifluoroacetic Acid SCHEMBL3913747 0.74 KCNA3 (0.44) CA12CA1CA2CA9NQO1
Trifluoroacetic Acid SCHEMBL3911643 0.73 KCNA3 (0.44) CA12CA1CA2CA9KCNA3
Trifluoroacetic Acid SCHEMBL3913356 0.73 HTR2C (0.45) KCNA3PPARAHTR2CALDH1A1
Trifluoroacetic Acid SCHEMBL3914730 0.72 CYP19A1 (0.52) CA12CA1CA2CA9KCNA3
Trifluoroacetic Acid SCHEMBL3913777 0.72 KDM4E (0.46) CA12CA1CA2CA9KCNA3
Trifluoroacetic Acid SCHEMBL3923252 0.70 KCNA3 (0.46) CA12CA1CA2CA9KCNA3
Trifluoroacetic Acid SCHEMBL3911993 0.70 KCNA3 (0.60) CA12CA1CA9KCNA3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA12 3287/4885CA1 934/4885CA2 408/4885

“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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