SCHEMBL4958760

SCHEMBL4958760

CCOC(=O)c1cc(OCCCNC(=O)OC(C)(C)C)c2[nH]ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 2/20 0.42
STING1 Q86WV6 1/20 0.41
ACACB O00763 5/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
BRD4 O60885 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
EGFR P00533 1/20 0.37
ITK Q08881 1/20 0.37
SCN9A Q15858 1/20 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
SCHEMBL1144543 0.79 MEN1 (0.44) KDM4EMAPTNPSR1CA12CA1
SCHEMBL4956996 0.77 EGFR (0.43) KDM4EMAPTNPSR1STING1ADORA3
SCHEMBL7086157 0.77 JMJD6 (0.34) KDM4EMAPTACACB
SCHEMBL24852738 0.74 MEN1 (0.46) KDM4EMAPTNPSR1TDP1CA12
SCHEMBL1743881 0.73 CA12 (0.50) KDM4EMAPTNPSR1TDP1STK17B
SCHEMBL31245822 0.73 CA12 (0.54) KDM4EMAPTNPSR1TDP1STK17B
SCHEMBL1236245 0.72 CA12 (0.47) TDP1STK17BSTK17ABRD4CA12
SCHEMBL5610352 0.71 IDO1 (0.45) KDM4EMAPTNPSR1TDP1STK17B
SCHEMBL6261344 0.71 ALDH1A1 (0.51) KDM4EMAPTNPSR1TDP1CA12
SCHEMBL1144899 0.71 CA12 (0.49) KDM4EMAPTNPSR1TDP1CA12

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 11 patents. 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
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP 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
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035488-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 (2 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 KDM4E 4872/4885MAPT 3050/4885NPSR1 93/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 KDM4E 4782/4885MAPT 4502/4885NPSR1 96/4885

“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.