SCHEMBL7142145

SCHEMBL7142145

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.49
ROCK1 Q13464 14/20 0.49
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP3 P08254 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
SCHEMBL7142150 1.00 ROCK2 (0.49) ROCK2ROCK1ITGB3ITGAVSMN1; SMN2
SCHEMBL7141146 0.85 ROCK2 (0.59) ROCK2ROCK1SMN1; SMN2MMP3
SCHEMBL7137153 0.84 ROCK2 (0.49) ROCK2ROCK1ITGB3ITGAV
SCHEMBL7137156 0.84 ROCK2 (0.49) ROCK2ROCK1ITGB3ITGAV
SCHEMBL7140592 0.84 ROCK2 (0.53) ROCK2ROCK1SMN1; SMN2MMP3
SCHEMBL7136501 0.83 PPID (0.45) ROCK2ROCK1ITGB3ITGAVSMN1; SMN2
SCHEMBL7146622 0.82 ROCK2 (0.48) ROCK2ROCK1ITGB3ITGAVMMP3
SCHEMBL7140453 0.82 ROCK2 (0.48) ROCK2ROCK1ITGB3ITGAVSMN1; SMN2
SCHEMBL7146616 0.82 ROCK2 (0.48) ROCK2ROCK1ITGB3ITGAVMMP3
SCHEMBL7140446 0.82 ROCK2 (0.48) ROCK2ROCK1ITGB3ITGAVSMN1; SMN2

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 8 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
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN 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.