SCHEMBL4381805

SCHEMBL4381805

Cc1cc(OCCCC(=O)NCCNC(=O)OCc2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.43
MMP9 P14780 5/20 0.43
SYK P43405 1/20 0.43
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
ITGB3 P05106 4/20 0.40
ITGA2B P08514 3/20 0.40
ITGB1 P05556 4/20 0.40
ITGA5 P08648 4/20 0.40
ITGAV P06756 4/20 0.40
ITGB5 P18084 2/20 0.40
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CAPN1 P07384 1/20 0.39
CAPN2 P17655 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL27608126 1.00 MMP2 (0.43) MMP2MMP9SYKMMP1MMP3
SCHEMBL4955666 0.95 MMP2 (0.42) MMP2MMP9SYKMMP1MMP3
SCHEMBL26463144 0.95 SYK (0.42) MMP2MMP9SYKMMP1MMP3
SCHEMBL8313513 0.95 SYK (0.42) MMP2MMP9SYKMMP1MMP3
SCHEMBL4654777 0.90 MAPT (0.40) MMP2MMP9SYKMMP1MMP3
SCHEMBL14271433 0.90 MAPT (0.40) MMP2MMP9SYKMMP1MMP3
SCHEMBL4960020 0.87 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP7
SCHEMBL19809645 0.87 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6891309 0.85 MMP2 (0.41) MMP2MMP9MMP1MMP3MMP7
SCHEMBL15911824 0.85 KLK5 (0.43) SYKITGB3ITGA2BKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622647-B1 VITRONECTIN RECEPTOR ANTAGONIST COMPOUNDS AND THEIR USE IN THE PREPARATION OF RADIOPHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2009-11-25 EP disclosed
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP disclosed
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-7138104-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20060217292-A1 Vitronectin receptor antagonist compounds and their use in the preparation of diopharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2006-09-28 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
CN-1582166-A Vitronectin receptor antagonist pharmaceuticals for use in combination therapy BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-02-16 CN 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-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2003-12-18 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-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-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-04-11 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-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 MMP2 2824/4885MMP9 2851/4885SYK 1419/4885
US-20060217292-A1 Vitronectin receptor antagonist compounds and their use in the preparation of diopharmaceuticals TEK, KDR, EDNRA MMP2 2198/4885MMP9 2354/4885SYK 3268/4885
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2243/4885MMP9 2451/4885SYK 1455/4885
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2373/4885MMP9 2630/4885SYK 1207/4885
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2243/4885MMP9 2451/4885SYK 1455/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2529/4885MMP9 2180/4885SYK 1156/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2373/4885MMP9 2630/4885SYK 1207/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 MMP2 2373/4885MMP9 2630/4885SYK 1207/4885

“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.