SCHEMBL4253453

SCHEMBL4253453

CC1(C)SCN(S(=O)(=O)c2ccccc2)C1C(=O)NC(CNC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 1.00
ITGA2 P17301 7/20 1.00
ITGA4 P13612 1/20 0.58
ITGAV P06756 2/20 0.54
MMP1 P03956 4/20 0.41
MMP3 P08254 4/20 0.41
MMP7 P09237 4/20 0.41
MMP2 P08253 4/20 0.41
MMP13 P45452 3/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
FKBP1A P62942 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGA5 P08648 2/20 0.38
ITGB3 P05106 1/20 0.38

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
SCHEMBL12084520 1.00 ITGB1 (1.00) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL21376388 1.00 ITGB1 (1.00) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL31001648 1.00 ITGB1 (1.00) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL1487440 0.95 ITGB1 (0.90) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL1487432 0.94 ITGB1 (0.89) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL1487388 0.94 ITGB1 (0.89) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL1487415 0.94 ITGB1 (0.89) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL1487392 0.93 ITGB1 (0.86) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL1487400 0.92 ITGB1 (0.85) ITGB1ITGA2ITGA4ITGAVMMP1
SCHEMBL1487445 0.92 ITGB1 (0.85) ITGB1ITGA2ITGA4ITGAVMMP1

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-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

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.