SCHEMBL4960304

SCHEMBL4960304

CC(C)(C)OC(=O)CN1CCNC(CC(=O)O)CN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.35
PLA2G10 O15496 2/20 0.34
PLA2G5 P39877 2/20 0.34
ITGB3 P05106 1/20 0.30
ITGB2 P05107 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGAL P20701 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL16854473 0.84 BIRC2 (0.38) BIRC2PLA2G10PLA2G5SIGMAR1MAPT
SCHEMBL16826797 0.84 BIRC2 (0.38) BIRC2PLA2G10PLA2G5SIGMAR1MAPT
SCHEMBL8815561 0.82 BIRC2 (0.40) BIRC2ITGB3ITGB2ITGB1ITGAV
SCHEMBL2906920 0.82 BIRC2 (0.37) BIRC2PLA2G10PLA2G5SIGMAR1MAPT
SCHEMBL24296905 0.81 BIRC2 (0.36) BIRC2SIGMAR1MAPT
SCHEMBL991445 0.80 PLA2G10 (0.34) PLA2G10PLA2G5ITGB3ITGB2ITGB1
SCHEMBL17153062 0.79 BIRC2 (0.55) BIRC2PLA2G10PLA2G5
SCHEMBL6100284 0.79 BIRC2 (0.41) BIRC2ITGB3ITGB2ITGB1ITGAV
SCHEMBL15894887 0.79 BIRC2 (0.38) BIRC2ITGB3ITGB2ITGB1ITGAV
SCHEMBL4213475 0.76 SIGMAR1 (0.44) PLA2G10PLA2G5SIGMAR1MAPT

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 21 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
US-7018611-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-03-28 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-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-6743412-B2 ADMINISTERING TO TREAT RHEUMATOID ARTHRITIS, CANCER, RESTENOSIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6689337-B2 TARGETING MOIETY OF A QUINOLONE NONPEPTIDE BOUND TO A CHELATOR AND ALSO BINDS TO A RECEPTOR THAT IS UPREGULATED DURING ANGIOGENESIS; IMAGING COMPOUNDS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6683163-B2 MONITORING ANGIOGENESIS FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-01-27 US disclosed
US-20030124120-A1 Quinolone vitronectin receptor antagonist pharmaceuticals HARRIS THOMAS D (US) 2003-07-03 US disclosed
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS HOLDINGS, INC. 2003-06-19 US disclosed
US-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent LANTHEUS MEDICAL IMAGING, INC. 2003-06-05 US disclosed
US-6524553-B2 A compound, comprising: a targeting moiety and a chelator, wherein the targeting moiety is bound to the chelator, is a qinolone nonpeptide, and binds to a receptor that is upregulated during angiogenesis BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-25 US disclosed
US-6511649-B1 Chemotherapeutic, a radiosensitizer agent, and a targeting moiety bound to chelator and is a quinolone nonpeptide that binds to a receptor; therapeutically effective radioisotope or diagnostically effective imageable moiety; cancer LANTHEUS MI REAL ESTATE, LLC 2003-01-28 US disclosed
US-6511648-B2 Diagnosis, therapy cancer BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-28 US disclosed
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MI REAL ESTATE, LLC 2002-12-05 US disclosed
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MI REAL ESTATE, LLC 2002-05-23 US disclosed
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS CITIZENS BANK, N.A. 2002-02-07 US disclosed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 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 (8 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-20030124120-A1 Quinolone vitronectin receptor antagonist pharmaceuticals ADGRF1, QRFPR, ADGRE5 BIRC2 3202/4885PLA2G10 4304/4885PLA2G5 3205/4885
US-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 BIRC2 1412/4885PLA2G10 2384/4885PLA2G5 1351/4885
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 BIRC2 3202/4885PLA2G10 4304/4885PLA2G5 3205/4885
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 BIRC2 1412/4885PLA2G10 2384/4885PLA2G5 1351/4885
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 BIRC2 1709/4885PLA2G10 3341/4885PLA2G5 1789/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 BIRC2 1080/4885PLA2G10 2804/4885PLA2G5 1595/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 BIRC2 1696/4885PLA2G10 3424/4885PLA2G5 1757/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 BIRC2 1696/4885PLA2G10 3424/4885PLA2G5 1757/4885

“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.