SCHEMBL4259952

SCHEMBL4259952

CC(C)(C)OC(=O)NCC(NC(=O)C1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.51
ITGA4 P13612 3/20 0.51
ITGA2 P17301 1/20 0.51
MMP9 P14780 4/20 0.48
MMP2 P08253 2/20 0.48
ITGA5 P08648 3/20 0.45
ITGAV P06756 2/20 0.45
ITGB3 P05106 1/20 0.45
MMP1 P03956 3/20 0.45
MMP13 P45452 3/20 0.45
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ADAM17 P78536 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8248902 1.00 ITGB1 (0.51) ITGB1ITGA4ITGA2MMP9MMP2
SCHEMBL8238744 0.92 MMP9 (0.47) ITGB1ITGA4ITGA2MMP9MMP2
SCHEMBL6151068 0.90 ITGB1 (0.58) ITGB1ITGA4ITGA2MMP9ITGA5
SCHEMBL6401233 0.90 ITGB1 (0.58) ITGB1ITGA4ITGA2MMP9ITGA5
SCHEMBL4253017 0.88 ITGB1 (0.56) ITGB1ITGA4ITGA2MMP9MMP2
SCHEMBL8245244 0.88 ITGB1 (0.56) ITGB1ITGA4ITGA2MMP9MMP2
SCHEMBL8248228 0.88 ITGB1 (0.57) ITGB1ITGA4ITGA2MMP9MMP2
SCHEMBL4258002 0.88 ITGB1 (0.57) ITGB1ITGA4ITGA2MMP9MMP2
SCHEMBL4256087 0.86 MMP9 (0.48) ITGB1ITGA4ITGA2MMP9MMP2
SCHEMBL8239095 0.86 MMP9 (0.48) ITGB1ITGA4ITGA2MMP9MMP2

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 4/4885ITGA4 17/4885ITGA2 3/4885

“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.