SCHEMBL5031904

SCHEMBL5031904

COc1ccc(CC2(C(=O)O)SCCCS2)cc1CNC(=O)c1ccc(OC2CCCC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
EPHX2 P34913 5/20 0.40
PPARA Q07869 6/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HIF1A Q16665 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL5034443 0.88 PPARA (0.42) PPARAPPARGPPARDHPGDLMNA
SCHEMBL5030015 0.87 PPARA (0.40) PPARAPPARGPPARDHPGDALDH1A1
SCHEMBL5031836 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL5032979 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL5031986 0.81 PPARA (0.47) PPARAPPARGPPARDHPGDLMNA
SCHEMBL6506584 0.78 PPARA (0.46) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL3418889 0.78 PPARG (0.45) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL6498076 0.77 PPARA (0.47) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL5032989 0.76 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL3412588 0.76 PPARD (0.60) PDE4APDE4BPDE4CPDE4DEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD PDE4A 1570/4885PDE4B 1844/4885PDE4C 1828/4885

“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.