SCHEMBL5233234

SCHEMBL5233234

CCCCCOc1c(C(=O)O)n(CC(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.39
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
MKNK2 Q9HBH9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DPP4 P27487 2/20 0.35
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
PDE5A O76074 1/20 0.35
PLA2G4B P0C869 1/20 0.34

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
SCHEMBL5238955 0.97 PLA2G2A (0.38) PLA2G2ATHRATHRBKDM4EKMT2A
SCHEMBL5235591 0.88 L3MBTL1 (0.39) PLA2G2ATHRATHRBKMT2AMKNK2
SCHEMBL5232009 0.87 PLA2G2A (0.38) PLA2G2ATHRATHRBALDH1A1GAA
SCHEMBL5234123 0.84 ESR1 (0.38) PLA2G2AKDM4EKMT2AMKNK2ALDH1A1
SCHEMBL5240015 0.83 PDE5A (0.35) THRATHRBALDH1A1HSD17B10DPP4
SCHEMBL5232392 0.83 THRB (0.36) PLA2G2ATHRATHRBKDM4EKMT2A
SCHEMBL6703529 0.82 DPP4 (0.35) THRATHRBKDM4EKMT2ADPP4
SCHEMBL5233361 0.82 ALDH1A1 (0.46) PLA2G2ATHRATHRBKDM4EKMT2A
SCHEMBL5233243 0.82 PLA2G2A (0.38) PLA2G2ATHRATHRBKMT2AALDH1A1
SCHEMBL5238788 0.81 THRA (0.38) PLA2G2ATHRATHRBPLA2G4B

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 PLA2G2A 3137/4885THRA 1886/4885THRB 1540/4885

“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.