SCHEMBL5234020

SCHEMBL5234020

CCCCOc1c(CNC(=O)O)n(CC2CC2)c(=O)c2ccc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
AVPR1B P47901 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 4/20 0.35
MAPK8 P45983 2/20 0.35
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
CNR1 P21554 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL5234694 0.90 MAPK8 (0.45) GSK3BAVPR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL5238616 0.89 PGR (0.39) AVPR1BSMN1; SMN2HIF1AKDM4EALDH1A1
SCHEMBL5234032 0.88 AVPR1B (0.35) GSK3BAVPR1BSMN1; SMN2HIF1AKDM4E
SCHEMBL5234276 0.88 AVPR1B (0.42) AVPR1BSMN1; SMN2CNR2CNR1
SCHEMBL5235599 0.87 DPP4 (0.43) AVPR1BSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5234361 0.87 HSD17B10 (0.36) GSK3BAVPR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL5237501 0.85 DPP4 (0.48) CNR2DPP4
SCHEMBL5237350 0.85 RORA (0.37) KDM4EALDH1A1HSD17B10CNR2RORA
SCHEMBL5237058 0.82 CYP3A4 (0.40) GSK3BAVPR1BMAPK8
SCHEMBL6109990 0.82 GSK3B (0.35) GSK3BAVPR1BSMN1; SMN2HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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 (1 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 GSK3B 4339/4885AVPR1B 1020/4885SMN1; SMN2 4002/4885

“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.