SCHEMBL3267490

SCHEMBL3267490

N=C(N)c1ccc(N2CC(COc3ccc(CC(N)C(=O)O)cc3)OC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.53
ITGB3 P05106 8/20 0.49
PRSS1 P07477 8/20 0.49
PRSS2 P07478 8/20 0.49
ITGA2B P08514 8/20 0.49
PRSS3 P35030 8/20 0.49
F10 P00742 6/20 0.49
F2 P00734 1/20 0.49

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
SCHEMBL7229940 0.90 GRM2 (0.51) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7228315 0.88 GRM2 (0.51) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7237867 0.88 GRM2 (0.51) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7386950 0.87 GRM2 (0.63) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8151677 0.87 GRM2 (0.57) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7227714 0.86 GRM2 (0.51) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7239380 0.86 GRM2 (0.53) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7227598 0.85 GRM2 (0.50) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL3266803 0.85 GRM2 (0.52) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7239295 0.85 GRM2 (0.52) GRM2ITGB3PRSS1PRSS2ITGA2B

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US claimed
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP claimed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP claimed
JP-8225550-A None JP disclosed
EP-0951295-B1 COMPOSITIONS FOR USE IN INHIBITING OF ALPHA-V-BETA3 MEDIATED ANGIOGENESIS SCRIPPS RESEARCH INST (US) 2010-06-09 EP disclosed
US-20060270710-A1 Methods for inhibition of angiogenesis THE SCRIPPS RESEARCH INSTITUTE 2006-11-30 US disclosed
US-20060165703-A1 Methods and compositions useful for inhibition of alpha v beta 5 mediated angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2006-07-27 US disclosed
US-7053041-B1 Methods and compositions useful for inhibition of αvβ5mediated angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2006-05-30 US disclosed
EP-1613268-A2 METHODS FOR INHIBITION OF ANGIOGENESIS The Scripps Research Institute (US) 2006-01-11 EP disclosed
WO-2004087057-A2 METHODS FOR INHIBITION OF ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-10-14 WO disclosed
US-20040063790-A1 Methods for inhibition of angiogenesis THE SCRIPPS RESEARCH INSTITUTE 2004-04-01 US disclosed
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP disclosed
EP-0844874-A1 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF $g(a) v?$g(b) 5? MEDIATED ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-03 EP disclosed
WO-1997045447-A9 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF αvβ5 MEDIATED ANGIOGENESIS 1998-03-12 WO disclosed
WO-1997045137-A1 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-12-04 WO disclosed
WO-1997045447-A1 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF αvβ5 MEDIATED ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-12-04 WO disclosed
WO-1997006791-A9 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF αvβ5 MEDIATED ANGIOGENESIS 1997-04-03 WO disclosed
WO-1997006791-A1 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF αvβ5 MEDIATED ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-02-27 WO disclosed
JP-H08225550-A ADHESION RECEPTOR ANTAGONIST MERCK PATENT GMBH 1996-09-03 JP disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP 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 (3 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-20040063790-A1 Methods for inhibition of angiogenesis FLT4, ANXA3, VCAM1 GRM2 1818/4885ITGB3 79/4885PRSS1 920/4885
US-20060165703-A1 Methods and compositions useful for inhibition of alpha v beta 5 mediated angiogenesis ITGA5, ITGB5, ITGAV GRM2 3382/4885ITGB3 11/4885PRSS1 2493/4885
US-20060270710-A1 Methods for inhibition of angiogenesis FLT4, KDR, FLT1 GRM2 2267/4885ITGB3 5/4885PRSS1 649/4885

“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.