SCHEMBL2552732

SCHEMBL2552732

OB(O)c1ccccc1OC1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.56
BAZ2B Q9UIF8 1/20 0.56
ENPP2 Q13822 1/20 0.47
SYK P43405 1/20 0.42
CHKA P35790 1/20 0.40
LIPE Q05469 1/20 0.40
PDE4D Q08499 7/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PSMB5 P28074 1/20 0.39
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
VEGFA P15692 1/20 0.38
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36

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
SCHEMBL29952605 0.90 KAT2B (0.47) KAT2BBAZ2BENPP2LIPEPDE4D
SCHEMBL2405931 0.88 ENPP2 (0.55) KAT2BBAZ2BENPP2LIPEORAI1
SCHEMBL29956826 0.88 ENPP2 (0.55) KAT2BBAZ2BENPP2LIPEORAI1
SCHEMBL21979744 0.84 ENPP2 (0.52) KAT2BBAZ2BENPP2LIPEPDE4D
SCHEMBL29955587 0.84 ENPP2 (0.52) KAT2BBAZ2BENPP2LIPEPDE4D
SCHEMBL27043162 0.83 ENPP2 (0.50) KAT2BBAZ2BENPP2LIPEPDE4D
SCHEMBL19837798 0.77 KAT2B (0.56) KAT2BBAZ2BSYKCHKAPDE4D
SCHEMBL12180578 0.77 KAT2B (0.56) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL29953556 0.76 LIPE (0.47) ENPP2LIPE
SCHEMBL13692329 0.74 KAT2B (0.74) KAT2BBAZ2BSYKPDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433255-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-01-30 EP disclosed
WO-2017162572-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-28 WO disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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 (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-20110263560-A1 Organic Compounds REN, ACE, OTC KAT2B 3071/4885BAZ2B 1502/4885ENPP2 3026/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO KAT2B 3294/4885BAZ2B 1972/4885ENPP2 2469/4885

“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.