SCHEMBL7140097

SCHEMBL7140097

CC(C)(C)OC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.40
ITGAV P06756 8/20 0.40
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 4/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.37
CCKBR P32239 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
ITGB1 P05556 4/20 0.36
ITGA5 P08648 4/20 0.36
MDM2 Q00987 4/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MDM4 O15151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 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
SCHEMBL7140094 1.00 ITGB3 (0.40) ITGB3ITGAVROCK2ROCK1MAPK1
SCHEMBL8051485 0.95 ROCK2 (0.39) ITGB3ITGAVROCK2ROCK1MAPK1
SCHEMBL7145301 0.89 ITGB3 (0.44) ITGB3ITGAVROCK2ROCK1MAPT
Acetic Acid SCHEMBL27509126 0.89 ROCK1 (0.39) ITGB3ITGAVROCK2ROCK1MAPK1
SCHEMBL8051508 0.86 ROCK2 (0.43) ITGB3ITGAVROCK2ROCK1MAPK1
SCHEMBL8063417 0.85 ROCK2 (0.43) ITGB3ITGAVROCK2ROCK1MAPK1
SCHEMBL7146622 0.85 ROCK2 (0.48) ITGB3ITGAVROCK2ROCK1ITGB1
SCHEMBL7146616 0.85 ROCK2 (0.48) ITGB3ITGAVROCK2ROCK1ITGB1
SCHEMBL8063448 0.84 ROCK2 (0.39) ROCK2ROCK1MAPK1MAPTNPSR1
SCHEMBL27510568 0.84 ROCK2 (0.39) ROCK2ROCK1MAPK1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ITGB3 7/4885ITGAV 109/4885ROCK2 180/4885

“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.