Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3911182

O=C(NCCCOc1cc(=O)oc2ccc(Cl)cc12)c1ccncc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 1/20 0.42
▸ RHOA P61586 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ CA9 Q16790 2/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ NAAA Q02083 1/20 0.37
▸ MAPK8 P45983 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
SCHEMBL3920133 0.94 TSHR (0.46) RHOCRHOATSHRL3MBTL1CYP1A2
Trifluoroacetic Acid SCHEMBL3919734 0.90 HPGD (0.47) —
SCHEMBL3918140 0.83 HPGD (0.52) TSHR
Trifluoroacetic Acid SCHEMBL3910499 0.83 ALDH1A1 (0.51) TSHRL3MBTL1CYP1A2CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL3909784 0.82 AR (0.47) —
Trifluoroacetic Acid SCHEMBL3913356 0.80 HTR2C (0.45) TSHR
Trifluoroacetic Acid SCHEMBL3923252 0.80 KCNA3 (0.46) CA9
Trifluoroacetic Acid SCHEMBL5728404 0.79 HTR2C (0.44) TSHR
Trifluoroacetic Acid SCHEMBL3925125 0.79 KCNA3 (0.45) CA9
SCHEMBL3922173 0.78 GFER (0.49) L3MBTL1

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 RHOC 2142/4885RHOA 2006/4885TSHR 4495/4885

“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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