SCHEMBL5237316

SCHEMBL5237316

CCCCOc1c(C(=O)O)n(CC(C)(C)C)c(=O)c2cc(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
PLA2G2A P14555 2/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH2 P25021 1/20 0.34
PPM1A P35813 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PGR P06401 1/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PARP1 P09874 1/20 0.33
MPO P05164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5232796 0.96 PTGDR2 (0.39) PTGER4PTGDR2PLA2G2AALDH1A1GAA
SCHEMBL5236202 0.89 KDM4E (0.36) PTGER4PTGDR2ALDH1A1KDM4EHPGD
SCHEMBL5233258 0.88 MEN1 (0.38) PTGER4PLA2G2AALDH1A1GAAKDM4E
SCHEMBL5231698 0.88 RORA (0.43) PTGDR2PPARGPPARDPPARAPGR
SCHEMBL5231036 0.85 L3MBTL1 (0.43) PTGER4PLA2G2AALDH1A1GAAKDM4E
SCHEMBL5234385 0.85 GABRA1 (0.36) PTGER4PTGDR2PPM1APGRPOLB
SCHEMBL5238841 0.85 PTGDR2 (0.37) PTGER4PTGDR2ALDH1A1KDM4EHPGD
SCHEMBL6109513 0.84 RORA (0.40) PTGER4PLA2G2AALDH1A1GAAKDM4E
SCHEMBL5233440 0.84 L3MBTL1 (0.39) PLA2G2AALDH1A1GAAMAPT
SCHEMBL5238716 0.84 PPM1A (0.36) PTGER4PTGDR2ALDH1A1KDM4EHSD17B10

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 PTGER4 2453/4885PTGDR2 2823/4885PLA2G2A 3137/4885

“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.