SCHEMBL4253387

SCHEMBL4253387

O=C(NCc1ccc(-c2ccccc2)cc1)NCC(NC(=O)C1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.68
ITGA2 P17301 7/20 0.68
ITGA4 P13612 1/20 0.68
MMP2 P08253 3/20 0.52
MMP9 P14780 2/20 0.52
ITGA5 P08648 3/20 0.50
FKBP1A P62942 1/20 0.50
ITGAV P06756 2/20 0.47
ITGB3 P05106 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL12084495 1.00 ITGB1 (0.68) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL4251535 0.96 ITGB1 (0.73) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL8245510 0.96 ITGB1 (0.73) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL8249103 0.94 ITGB1 (0.59) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL12084448 0.92 ITGB1 (0.63) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL8248234 0.92 ITGB1 (0.65) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL4252970 0.92 ITGB1 (0.63) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL4260308 0.92 ITGB1 (0.65) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL12084785 0.92 ITGB1 (0.79) ITGB1ITGA2ITGA4MMP2MMP9
SCHEMBL4253400 0.92 ITGB1 (0.79) ITGB1ITGA2ITGA4MMP2MMP9

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-8258159-B2 Inhibitors of the α2β1/GPIa-IIa integrin THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-09-04 US claimed
US-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-17 US claimed
EP-1898940-A1 INHIBITORS OF THE ALPHA2BETA 1/GPIA-IIA INTEGRIN The Trustees of The University of Pennsylvania (US) 2008-03-19 EP claimed
WO-2006133338-A1 INHIBITORS OF THE α2β1/GPIa-IIa INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNESYLVANIA (US) 2006-12-14 WO claimed
US-8258159-B2 Inhibitors of the α2β1/GPIa-IIa integrin THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-09-04 US disclosed
US-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-17 US disclosed
EP-1898940-A1 INHIBITORS OF THE ALPHA2BETA 1/GPIA-IIA INTEGRIN The Trustees of The University of Pennsylvania (US) 2008-03-19 EP disclosed
WO-2006133338-A1 INHIBITORS OF THE α2β1/GPIa-IIa INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNESYLVANIA (US) 2006-12-14 WO 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-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN ITGA2B, ITGB2, ITGA2 ITGB1 4/4885ITGA2 3/4885ITGA4 17/4885

“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.