Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6809034

COC(=O)C(N)Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.40
ITGA4 P13612 9/20 0.40
CDK14 O94921 7/20 0.37
CCNY Q8ND76 7/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
ITGB7 P26010 4/20 0.34
TYK2 P29597 1/20 0.33

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
SCHEMBL6806803 0.94 ITGB1 (0.39) ITGB1ITGA4ITGB7TYK2
SCHEMBL6808318 0.80 TACR1 (0.43) ITGB1ITGA4
SCHEMBL7546236 0.76 ITGB2 (0.53) ITGB1ITGA4ITGB7
SCHEMBL7542020 0.76 ITGB2 (0.53) ITGB1ITGA4ITGB7
SCHEMBL7539842 0.75 ITGB2 (0.51) ITGB1ITGA4ITGB7
SCHEMBL7544703 0.75 ITGB2 (0.51) ITGB1ITGA4ITGB7
SCHEMBL7544261 0.75 ITGB2 (0.51) ITGB1ITGA4ITGB7
SCHEMBL7545077 0.75 ITGB2 (0.51) ITGB1ITGA4ITGB7
SCHEMBL6804920 0.75 TACR1 (0.39) ITGB1ITGA4
SCHEMBL6807751 0.74 CYP3A4 (0.40) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ITGB1 55/4885ITGA4 221/4885CDK14 1846/4885

“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.