SCHEMBL4961345

SCHEMBL4961345

CC(C)(C)OC(C[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A1 P43005 8/20 0.44
SLC1A2 P43004 7/20 0.44
SLC1A3 P43003 6/20 0.44
GRIK1 P39086 8/20 0.42
GRIK2 Q13002 6/20 0.42

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
SCHEMBL13484733 0.79 LAP3 (0.44) SLC7A5SLC1A2SLC1A3
SCHEMBL13484721 0.77 SRR (0.34) SLC7A5
SCHEMBL2862217 0.77 SLC7A5 (0.54) SLC7A5SLC1A1SLC1A2SLC1A3GRIK1
SCHEMBL17245262 0.74 OR51E2 (0.35)
SCHEMBL17250792 0.74 OR51E2 (0.35)
SCHEMBL13484735 0.74 SMN1; SMN2 (0.39) SLC1A1SLC1A2SLC1A3
SCHEMBL17245272 0.74 SMN1; SMN2 (0.39) SLC1A1SLC1A2SLC1A3
SCHEMBL17245271 0.74 SMN1; SMN2 (0.39) SLC1A1SLC1A2SLC1A3
SCHEMBL27667862 0.73 GABRR1 (0.45)
SCHEMBL12285641 0.72 TDP1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP disclosed
US-7090828-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-08-15 US disclosed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 US disclosed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 US disclosed
US-6794518-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 US disclosed
US-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2004-01-22 US disclosed
EP-1311292-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-05-21 EP 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
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2001097861-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
EP-1140864-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed
WO-2000035887-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARM CO (US) 2000-06-22 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 (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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 SLC7A5 2192/4885SLC1A1 1676/4885SLC1A2 1568/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 SLC7A5 3125/4885SLC1A1 3986/4885SLC1A2 4385/4885
US-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 SLC7A5 2565/4885SLC1A1 3616/4885SLC1A2 3806/4885

“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.