SCHEMBL4249877

SCHEMBL4249877

O=C(NCc1ccccc1)NCC(NC(=O)C1CC(O)CN1S(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.71
ITGA2 P17301 7/20 0.71
ITGA4 P13612 2/20 0.62
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGAV P06756 3/20 0.42
ITGA5 P08648 3/20 0.42
MMP1 P03956 2/20 0.42
ADAM17 P78536 2/20 0.42
ITGB3 P05106 1/20 0.42
FKBP1A P62942 1/20 0.41
CAPN1 P07384 1/20 0.41
CTSB P07858 1/20 0.41
MMP2 P08253 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
SCHEMBL12084795 1.00 ITGB1 (0.71) ITGB1ITGA2ITGA4MEN1KMT2A
SCHEMBL8248993 0.92 ITGB1 (0.70) ITGB1ITGA2ITGA4ITGAVITGA5
SCHEMBL8245234 0.87 ITGB1 (0.66) ITGB1ITGA2ITGA4ITGAVITGA5
SCHEMBL4259018 0.87 ITGB1 (0.66) ITGB1ITGA2ITGA4ITGAVITGA5
SCHEMBL1487410 0.85 ITGB1 (0.75) ITGB1ITGA2ITGA4ITGAVITGA5
SCHEMBL8239058 0.85 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGAVITGA5
SCHEMBL12084502 0.85 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGAVITGA5
SCHEMBL4255594 0.85 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGAVITGA5
SCHEMBL12084791 0.84 ITGB1 (0.79) ITGB1ITGA2ITGA4ITGAVITGA5
SCHEMBL4260019 0.84 ITGB1 (0.79) ITGB1ITGA2ITGA4ITGAVITGA5

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.