SCHEMBL7144029

SCHEMBL7144029

CCCCS(=O)(=O)N[C@@H](CCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.53
ITGA2B P08514 11/20 0.53
ITGAV P06756 3/20 0.43
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CA2 P00918 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL7144039 1.00 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7262653 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7262649 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8760082 0.86 ITGB3 (0.53) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL6818957 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7395698 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL31522342 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL8747398 0.85 ITGB3 (0.55) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7142465 0.84 ITGB3 (0.50) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL8741792 0.84 ITGB3 (0.46) ITGB3ITGA2BITGAVCHRM2SLC6A4

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
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 CN 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 ITGB3 7/4885ITGA2B 106/4885ITGAV 109/4885

“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.