SCHEMBL4957675

SCHEMBL4957675

CCOC(=O)c1cc(O)c2c(cnn2Cc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
ERBB2 P04626 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
F2RL3 Q96RI0 1/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 2/20 0.46
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL14271500 0.81 EGFR (0.46) EGFRERBB2SMN1; SMN2KMT2APOLB
SCHEMBL17582602 0.77 SMN1; SMN2 (0.56) EGFRERBB2SMN1; SMN2KMT2APOLB
SCHEMBL4956996 0.75 EGFR (0.43) EGFRERBB2MAPTL3MBTL1TP53
SCHEMBL7080177 0.75 EGFR (0.41) EGFRERBB2SMN1; SMN2KMT2APOLB
SCHEMBL13495282 0.74 SMN1; SMN2 (0.61) SMN1; SMN2KMT2APOLBMAPK1TDP1
SCHEMBL15920987 0.74 SMN1; SMN2 (0.61) SMN1; SMN2KMT2APOLBF2RL3MAPK1
SCHEMBL1242317 0.74 SMN1; SMN2 (0.49) EGFRERBB2SMN1; SMN2KMT2APOLB
SCHEMBL25604982 0.73 MAPK1 (0.52) EGFRERBB2SMN1; SMN2KMT2APOLB
SCHEMBL21332805 0.73 SMN1; SMN2 (0.77) SMN1; SMN2KMT2APOLBMAPK1TDP1
SCHEMBL30645297 0.73 TSHR (0.49) SMN1; SMN2POLBF2RL3MAPK1TDP1

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 EGFR 576/4885ERBB2 621/4885SMN1; SMN2 3113/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 EGFR 265/4885ERBB2 391/4885SMN1; SMN2 3978/4885

“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.