SCHEMBL1070833

SCHEMBL1070833

O=C(O)CCNC(=O)c1cn(CCc2ccccc2)c2c(F)c(CNc3ncc[nH]3)c(F)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
CNR2 P34972 2/20 0.39
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 4/20 0.37

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
SCHEMBL1066555 0.87 KDM4E (0.41) ALDH1A1KDM4EHPGDITGB3ITGAV
SCHEMBL3867138 0.87 KDM4E (0.39) ALDH1A1KDM4EHPGDITGB3ITGAV
SCHEMBL7393329 0.85 KDM4E (0.36) ALDH1A1KDM4EHPGDITGB3ITGAV
SCHEMBL1069614 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCNR2PDE4A
SCHEMBL1070403 0.84 ITGB3 (0.49) ITGB3ITGAV
SCHEMBL1070621 0.83 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL1071032 0.82 ITGB3 (0.49) ITGB3ITGAV
SCHEMBL1069612 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDCNR2PDE4A
SCHEMBL1070971 0.81 ITGAV (0.50) ITGB3ITGAV
SCHEMBL27579682 0.81 ITGB3 (0.39) ALDH1A1KDM4EHPGDITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP claimed
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP claimed
CN-1582166-A Vitronectin receptor antagonist pharmaceuticals for use in combination therapy BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-02-16 CN claimed
CN-1541115-A Smulaneous imaging of cardiac perfusion and vitronection receptor targeted imaging agent ����˹�ж�-����˹˹����ҩƷ��˾ 2004-10-27 CN claimed
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2003-12-18 US claimed
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS HOLDINGS, INC. 2003-06-19 US claimed
US-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent LANTHEUS MEDICAL IMAGING, INC. 2003-06-05 US claimed
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 claimed
US-6511648-B2 Diagnosis, therapy cancer BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-28 US claimed
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MI REAL ESTATE, LLC 2002-12-05 US claimed
CN-1356913-A vitronectin receptor antagonist drugs DU PONT PHARM CO (US) 2002-07-03 CN claimed
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MI REAL ESTATE, LLC 2002-05-23 US claimed
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-04-11 US claimed
EP-1140204-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035492-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
EP-0944619-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-09-29 EP claimed
WO-1998023608-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-06-04 WO claimed
EP-2269659-A1 Integrin targeted imaging agents Barnes Jewish Hospital (US) 2011-01-05 EP disclosed
EP-0944619-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-09-29 EP disclosed
WO-1998023608-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-06-04 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 (6 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 ALDH1A1 4053/4885KDM4E 4872/4885HPGD 3033/4885
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ALDH1A1 2648/4885KDM4E 4799/4885HPGD 1448/4885
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ALDH1A1 2844/4885KDM4E 4790/4885HPGD 1637/4885
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ALDH1A1 2648/4885KDM4E 4799/4885HPGD 1448/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ALDH1A1 2844/4885KDM4E 4790/4885HPGD 1637/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 ALDH1A1 2844/4885KDM4E 4790/4885HPGD 1637/4885

“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.