SCHEMBL8239104

SCHEMBL8239104

Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CNC(=O)NCc2ccccc2)C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 1.00
ITGA2 P17301 7/20 1.00
ITGA4 P13612 1/20 1.00
ITGA5 P08648 4/20 0.52
ITGAV P06756 2/20 0.52
FKBP1A P62942 4/20 0.52
ITGB3 P05106 1/20 0.50
RAB9A P51151 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47

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
SCHEMBL4259963 1.00 ITGB1 (1.00) ITGB1ITGA2ITGA4ITGA5ITGAV
SCHEMBL12084528 0.92 ITGB1 (0.85) ITGB1ITGA2ITGA4ITGA5FKBP1A
SCHEMBL4259040 0.92 ITGB1 (0.85) ITGB1ITGA2ITGA4ITGA5FKBP1A
SCHEMBL12084502 0.91 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGA5ITGAV
SCHEMBL8239058 0.91 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGA5ITGAV
SCHEMBL4255594 0.91 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGA5ITGAV
SCHEMBL12084574 0.90 ITGB1 (0.81) ITGB1ITGA2ITGA4ITGA5ITGAV
SCHEMBL4256973 0.90 ITGB1 (0.81) ITGB1ITGA2ITGA4ITGA5ITGAV
SCHEMBL12084514 0.90 ITGB1 (0.81) ITGB1ITGA2ITGA4ITGA5ITGAV
SCHEMBL4252951 0.90 ITGB1 (0.81) ITGB1ITGA2ITGA4ITGA5ITGAV

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 5 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 disclosed
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
US-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-17 US 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.