SCHEMBL7140579

SCHEMBL7140579

CCCCS(=O)(=O)NC(CC(=O)O)c1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.42
ITGAV P06756 6/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDR P35968 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
RORC P51449 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
SCHEMBL7139124 0.92 ALDH1A1 (0.43) ITGB3ITGAVROCK2ROCK1RAB9A
SCHEMBL7145101 0.85 ITGB3 (0.48) ITGB3ITGAVROCK2ROCK1RAB9A
SCHEMBL7658972 0.84 ITGB3 (0.42) ITGB3ITGAVROCK2ROCK1RAB9A
SCHEMBL7658978 0.84 ITGB3 (0.42) ITGB3ITGAVROCK2ROCK1RAB9A
SCHEMBL7146575 0.81 ROCK2 (0.50) ITGB3ITGAVROCK2ROCK1RAB9A
SCHEMBL7531619 0.81 ROCK2 (0.41) ROCK2ROCK1RAB9AALDH1A1LMNA
SCHEMBL7531614 0.80 ROCK2 (0.41) ROCK2ROCK1RAB9AALDH1A1LMNA
SCHEMBL7144223 0.80 ROCK2 (0.42) ITGB3ITGAVROCK2ROCK1RAB9A
SCHEMBL7144238 0.80 ROCK2 (0.42) ITGB3ITGAVROCK2ROCK1RAB9A
SCHEMBL7142296 0.80 ROCK2 (0.48) ROCK2ROCK1RAB9AALDH1A1LMNA

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.