SCHEMBL5972719

SCHEMBL5972719

CN1Cc2cc(C(=O)N(CCCCCCN)Cc3nc4ccccc4[nH]3)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.85
ITGAV P06756 20/20 0.85
ITGA2B P08514 3/20 0.75

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
SCHEMBL5165662 0.99 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL6944353 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8325096 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6130318 0.90 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL7077079 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8468526 0.89 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7918275 0.89 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL7509393 0.89 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL7510058 0.88 ITGB3 (0.81) ITGB3ITGAVITGA2B
SCHEMBL5972772 0.86 ITGB3 (0.74) ITGB3ITGAVITGA2B

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-7090828-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-08-15 US disclosed
US-6818201-B2 FOR ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; USEFUL FOR IMAGING ATHEROSCLEROSIS, RESTENOSIS, CARDIAC ISCHEMIA AND MYOCARDIAL REPERFUSION INJURY; THERAPY OF RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-16 US disclosed
US-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2004-01-22 US disclosed
US-20030149262-A1 Benzodiazepine vitronectin receptor antagonist pharmaceuticals CHEESMAN EDWARD H (US) 2003-08-07 US disclosed
US-20030143235-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2003-07-31 US disclosed
US-6569402-B1 Targeting moiety that binds to receptor upregulated during angiogenesis, and a radioisotope or diagnostically imageable moiety; receptor integrin and compound is a benzodiazepine, benzodiazepinedione, or dibenzotrihydroannulene nonapeptide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-27 US disclosed
US-6558649-B1 Benzodiazepine nonpeptide targeting moiety bound to chelating group; diagnosis and treatment of cancer; imaging tumors; monitoring therapeutic angiogenesis treatment and destruction of new angiogenic vasculature BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-06 US disclosed
US-6548663-B1 Imaging tumors and cancer with radioisotope benzodiazepine metal complex as contrast agent BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 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 (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-20030143235-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, ADGRE5 ITGB3 412/4885ITGAV 383/4885ITGA2B 374/4885
US-20030149262-A1 Benzodiazepine vitronectin receptor antagonist pharmaceuticals ADGRF1, GPR174, NPSR1 ITGB3 332/4885ITGAV 223/4885ITGA2B 354/4885
US-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ITGB3 496/4885ITGAV 451/4885ITGA2B 475/4885

“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.