SCHEMBL5030071

SCHEMBL5030071

CCOc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)OCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 2/20 0.43
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 1/20 0.38
OPRK1 P41145 6/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
OPRM1 P35372 6/20 0.36
OPRD1 P41143 6/20 0.36
TACR1 P25103 1/20 0.36
GLS O94925 1/20 0.35
PPARD Q03181 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK14 Q16539 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 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
SCHEMBL5031971 0.93 PPARA (0.39) KCNB1OPRK1PPARGPPARAOPRM1
SCHEMBL5031915 0.90 PPARG (0.44) OPRK1PPARGPPARAOPRM1OPRD1
SCHEMBL5031759 0.87 PPARG (0.42) OPRK1PPARGPPARAOPRM1OPRD1
SCHEMBL5036999 0.86 PPARD (0.47) OPRK1PPARGPPARAOPRM1OPRD1
SCHEMBL5031917 0.86 L3MBTL1 (0.37) OPRK1PPARGPPARAOPRM1OPRD1
SCHEMBL5029983 0.86 PPARG (0.38) OPRK1PPARGPPARAOPRM1OPRD1
SCHEMBL6425952 0.85 PPARA (0.39) OPRK1PPARGPPARAOPRM1OPRD1
SCHEMBL5031806 0.84 TSHR (0.44) OPRK1PPARGPPARAOPRM1OPRD1
SCHEMBL5031746 0.84 PPARG (0.41) OPRK1PPARGPPARAOPRM1OPRD1
SCHEMBL5029873 0.83 CYP3A4 (0.44)

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 KCNB1 760/4885USP28 3840/4885USP25 3904/4885

“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.