SCHEMBL563162

SCHEMBL563162

CCOCCc1cc2c(nc(O)n2CCCCS(C)(=O)=O)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
APLNR P35414 1/20 0.31
NOS1 P29475 1/20 0.31
OPRM1 P35372 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ACLY P53396 1/20 0.31
TSPO P30536 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL562152 0.90 TP53 (0.35) PTGS2APLNRLMNA
SCHEMBL562576 0.80 TLR7 (0.36) KDM4E
SCHEMBL3338086 0.75 PTGS2 (0.38) PTGS2APLNRKDM4E
SCHEMBL562921 0.75 KCNH2 (0.41) NOS1OPRM1LMNA
SCHEMBL563383 0.72 TLR7 (0.45) NOS1TSPO
SCHEMBL562449 0.72 TLR7 (0.40) PTGS2NOS1LMNA
SCHEMBL563312 0.72 DYRK1A (0.43) KDM4E
SCHEMBL562256 0.69 KCNH2 (0.37)
SCHEMBL561914 0.69 TLR7 (0.39) NOS1KDM4ELMNA
SCHEMBL563140 0.67 TLR7 (0.44) KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 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-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS IL4, IL2, IL4I1 PTGS2 207/4885APLNR 4318/4885NOS1 2653/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 PTGS2 189/4885APLNR 4400/4885NOS1 2646/4885

“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.