Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5845985

O=C(O)C(F)(F)F.O=C(O)CC(NC(=O)CNC(=O)OCCNc1ccccn1)c1ccc(-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.56
ITGB3 P05106 18/20 0.56
ITGB6 P18564 6/20 0.56
ITGA2B P08514 4/20 0.56
ITGB5 P18084 4/20 0.56
ITGB1 P05556 3/20 0.48
ITGA5 P08648 1/20 0.48
CTSA P10619 1/20 0.39

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
SCHEMBL5845180 0.96 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5846573 0.93 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5846029 0.93 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5846707 0.92 ITGAV (0.66) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5844722 0.91 ITGAV (0.61) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5845089 0.90 ITGAV (0.59) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5845989 0.90 ITGAV (0.47) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5844311 0.89 ITGAV (0.56) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5845351 0.89 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5845219 0.89 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135587-B2 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2006-11-14 US disclosed
EP-1343764-B1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2004-08-25 EP disclosed
US-20040063644-A1 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2004-04-01 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-20040063644-A1 Urea and urethane derivatives as integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 16/4885ITGB3 7/4885ITGB6 14/4885

“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.