Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3918872

Nc1cccc(COc2cc(=O)oc3ccc(Cl)cc23)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.44

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
SCHEMBL3920848 0.91 — —
Trifluoroacetic Acid SCHEMBL3923215 0.83 LRRK2 (0.44) —
Trifluoroacetic Acid SCHEMBL3909784 0.83 AR (0.47) —
SCHEMBL13840577 0.81 PKM (0.54) —
Trifluoroacetic Acid SCHEMBL5728404 0.80 HTR2C (0.44) —
Trifluoroacetic Acid SCHEMBL3913356 0.79 HTR2C (0.45) —
Trifluoroacetic Acid SCHEMBL3921377 0.79 KMO (0.44) MRGPRX4
Trifluoroacetic Acid SCHEMBL3923252 0.79 KCNA3 (0.46) —
Trifluoroacetic Acid SCHEMBL3925125 0.78 KCNA3 (0.45) —
SCHEMBL5728112 0.77 ACHE (0.47) —

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 MRGPRX4 1459/4885

“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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