SCHEMBL4388255

SCHEMBL4388255

Cn1cc(C(=O)O)c(=O)c2ccc(CNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.40
S1PR3 Q99500 3/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDR P35968 1/20 0.37
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
CHRM1 P11229 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL7055717 0.91 S1PR1 (0.41) S1PR1S1PR3NPC1RAB9ALMNA
SCHEMBL12372084 0.90 P2RX3 (0.42) S1PR1S1PR3RAB9AKDRLMNA
SCHEMBL5779683 0.89 S1PR1 (0.36) S1PR1S1PR3NPC1RAB9AKDR
SCHEMBL27608112 0.83 KMT2A (0.35) TP53
SCHEMBL4654929 0.82 CAMK2D (0.37)
SCHEMBL5663451 0.81 CNR1 (0.35) POLBLMNACHRM1
SCHEMBL5779687 0.80 NPC1 (0.34) NPC1RAB9APOLBLMNATP53
SCHEMBL8635242 0.78 NPC1 (0.31) NPC1RAB9AKDR
SCHEMBL4654781 0.75 P2RX3 (0.40)
SCHEMBL5969688 0.75 S1PR1 (0.40) S1PR1S1PR3KDRPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
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
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US disclosed
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP disclosed
WO-2008070291-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2008-06-12 WO disclosed
EP-1423152-A4 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-12-27 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
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP disclosed
US-20020122768-A1 Stable radiopharmaceutical compositions and methods for preparation thereof LANTHEUS MEDICAL IMAGING, INC. 2002-09-05 US disclosed
CN-1356913-A vitronectin receptor antagonist drugs DU PONT PHARM CO (US) 2002-07-03 CN 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
US-6358976-B1 FOR THERAPY AND PROPHYLAXIS OF CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, OR MACULAR DEGENERATION LANTHEUS MI REAL ESTATE, LLC 2002-03-19 US disclosed
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS CITIZENS BANK, N.A. 2002-02-07 US disclosed
WO-2001097848-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
EP-1140204-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
US-6130231-A SUBSTITUTED 2,3-DIHYDROQUINOLIN-4-ONES DUPONT PHARMACEUTICALS (US) 2000-10-10 US disclosed
WO-2000035492-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (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 (5 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-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 S1PR1 980/4885S1PR3 848/4885NPC1 2220/4885
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS LDLR, HDLBP, FABP1 S1PR1 259/4885S1PR3 272/4885NPC1 85/4885
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 S1PR1 265/4885S1PR3 290/4885NPC1 2183/4885
US-20020122768-A1 Stable radiopharmaceutical compositions and methods for preparation thereof AHR, PAH, TYR S1PR1 915/4885S1PR3 749/4885NPC1 468/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 S1PR1 285/4885S1PR3 309/4885NPC1 2141/4885

“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.