SCHEMBL7146622

SCHEMBL7146622

O=C(O)CC(NC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1)C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.48
ROCK1 Q13464 9/20 0.48
ITGB3 P05106 6/20 0.47
ITGAV P06756 6/20 0.47
ITGB1 P05556 4/20 0.47
ITGA5 P08648 4/20 0.47
MDM2 Q00987 3/20 0.47
MMP8 P22894 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MDM4 O15151 2/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL7146616 1.00 ROCK2 (0.48) ROCK2ROCK1ITGB3ITGAVITGB1
Trifluoroacetic Acid SCHEMBL7146544 0.95 ROCK1 (0.44) ROCK2ROCK1ITGB3ITGAVITGB1
SCHEMBL7141416 0.94 ROCK2 (0.45) ROCK2ROCK1ITGB3ITGAVITGB1
SCHEMBL7137156 0.93 ROCK2 (0.49) ROCK2ROCK1ITGB3ITGAVKDR
SCHEMBL7137153 0.93 ROCK2 (0.49) ROCK2ROCK1ITGB3ITGAVKDR
SCHEMBL7147854 0.93 ROCK2 (0.48) ROCK2ROCK1ITGB3ITGAVITGB1
SCHEMBL7146289 0.93 ROCK2 (0.52) ROCK2ROCK1ITGB3ITGAVITGB1
SCHEMBL7146272 0.93 ROCK2 (0.52) ROCK2ROCK1ITGB3ITGAVITGB1
SCHEMBL7145301 0.90 ITGB3 (0.44) ROCK2ROCK1ITGB3ITGAVITGB1
SCHEMBL7143967 0.90 ROCK2 (0.43) ROCK2ROCK1ITGB3ITGAVITGB1

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-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 ROCK2 180/4885ROCK1 62/4885ITGB3 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.