Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7144435

CC(C)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.41
ROCK2 O75116 5/20 0.41
ITGB3 P05106 6/20 0.40
ITGAV P06756 6/20 0.40
MMP8 P22894 1/20 0.40
ITGB1 P05556 3/20 0.39
ITGA5 P08648 3/20 0.39
MDM2 Q00987 2/20 0.39
NFKB1 P19838 1/20 0.39
PSMB5 P28074 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
MDM4 O15151 1/20 0.39
ELANE P08246 1/20 0.38
DHODH Q02127 1/20 0.37
F2R P25116 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL7141416 0.95 ROCK2 (0.45) ROCK1ROCK2ITGB3ITGAVMMP8
Trifluoroacetic Acid SCHEMBL7146544 0.94 ROCK1 (0.44) ROCK1ROCK2ITGB3ITGAVMMP8
Trifluoroacetic Acid SCHEMBL7143711 0.90 ROCK1 (0.45) ROCK1ROCK2ITGB3ITGAV
SCHEMBL7146622 0.89 ROCK2 (0.48) ROCK1ROCK2ITGB3ITGAVMMP8
SCHEMBL7146616 0.89 ROCK2 (0.48) ROCK1ROCK2ITGB3ITGAVMMP8
Trifluoroacetic Acid SCHEMBL7139989 0.89 ELANE (0.40) ROCK1ROCK2ITGB3ITGAVITGB1
Trifluoroacetic Acid SCHEMBL7143829 0.88 ROCK1 (0.47) ROCK1ROCK2ITGB3ITGAVMMP8
Trifluoroacetic Acid SCHEMBL7145941 0.88 ROCK2 (0.44) ROCK1ROCK2ITGB3ITGAVITGB1
SCHEMBL8062348 0.87 ROCK2 (0.41) ROCK1ROCK2ITGB3ITGAVNFKB1
SCHEMBL15150526 0.86 ITGB3 (0.42) ROCK1ROCK2ITGB3ITGAVMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP claimed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US claimed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ROCK1 62/4885ROCK2 180/4885ITGB3 7/4885

“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.