Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4398571

NCc1cccc(C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 16/20 0.71
ALDH1A1 P00352 1/20 0.54
MC4R P32245 1/20 0.51
MC5R P33032 1/20 0.51
MC3R P41968 1/20 0.51

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
SCHEMBL11224818 0.85 ALDH1A1 (0.59) TPSAB1ALDH1A1MC4R
SCHEMBL4398574 0.84 ALDH1A1 (0.51) TPSAB1ALDH1A1
SCHEMBL11233209 0.84 ALDH1A1 (0.71) ALDH1A1
Trifluoroacetic Acid SCHEMBL4410347 0.83 TPSAB1 (1.00) TPSAB1
SCHEMBL11258267 0.82 ALDH1A1 (0.62) ALDH1A1
SCHEMBL11240160 0.79 ALDH1A1 (0.66) ALDH1A1
SCHEMBL11331493 0.78 ALDH1A1 (0.53) TPSAB1ALDH1A1MC4R
SCHEMBL11349537 0.77 MPO (0.56) ALDH1A1
SCHEMBL11240204 0.77 ALDH1A1 (0.66) ALDH1A1
SCHEMBL11309055 0.77 ALDH1A1 (0.66) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO 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 (2 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 TPSAB1 4/4885ALDH1A1 729/4885MC4R 1102/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TPSAB1 4/4885ALDH1A1 729/4885MC4R 1102/4885

“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.