SCHEMBL6073363

SCHEMBL6073363

CC(C)(C)OC(=O)NCCCn1cc(C(=O)O)c(=O)c2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.51
CNR2 P34972 6/20 0.48
CNR1 P21554 5/20 0.47
PRPS1 P60891 1/20 0.40
DYRK1A Q13627 1/20 0.40
IDO1 P14902 1/20 0.38

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
SCHEMBL4656142 0.89 LMNA (0.53) CAMK2DCNR2CNR1PRPS1DYRK1A
SCHEMBL6073315 0.87 CAMK2D (0.42) CAMK2DCNR2CNR1DYRK1A
SCHEMBL6073784 0.86 CAMK2D (0.42) CAMK2DCNR2CNR1DYRK1A
SCHEMBL29324307 0.79 LMNA (0.53) CAMK2DCNR2
SCHEMBL15798230 0.79 DYRK1A (0.56) CAMK2DCNR2DYRK1A
SCHEMBL9319939 0.79 ALDH1A1 (0.42) CAMK2D
SCHEMBL4176799 0.76 ALDH1A1 (0.43) CAMK2DCNR2
SCHEMBL4653711 0.76 P2RX3 (0.41) CAMK2DCNR2CNR1DYRK1A
SCHEMBL4654813 0.75 KMT2A (0.44) CAMK2DCNR2CNR1DYRK1A
SCHEMBL25381100 0.75 CAMK2D (0.48) CAMK2D

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018611-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-03-28 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-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2003-12-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 CAMK2D 1759/4885CNR2 78/4885CNR1 52/4885
US-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 CAMK2D 2093/4885CNR2 662/4885CNR1 610/4885
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 CAMK2D 1759/4885CNR2 78/4885CNR1 52/4885
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885CNR2 106/4885CNR1 85/4885
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1359/4885CNR2 106/4885CNR1 77/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885CNR2 106/4885CNR1 85/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885CNR2 106/4885CNR1 85/4885

“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.