SCHEMBL1635158

SCHEMBL1635158

Cc1cccc(CC(=O)O)c1OCCCc1cn(-c2ccc(C(F)(F)F)nn2)nc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
PTGER1 P34995 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SCN8A Q9UQD0 1/20 0.31
PPARD Q03181 2/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL6035415 0.90 PPARG (0.40) PTGER4PTGER3PTGER2ALDH1A1GAA
SCHEMBL6035639 0.87 PTGER1 (0.33) PTGER4PTGER3PTGER2PTGER1PPARG
SCHEMBL6036258 0.86 SMN1; SMN2 (0.37) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL6253930 0.86 PTPN1 (0.41) ALDH1A1GAA
SCHEMBL6035756 0.83 PTGER4 (0.35) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL6035698 0.83 ABCB1 (0.38) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL1633509 0.81 PPARG (0.33) PPARDPPARG
SCHEMBL6034696 0.80 PPARG (0.32) PPARG
SCHEMBL1634152 0.79 PPARG (0.43) ALDH1A1PPARDPPARG
SCHEMBL6035821 0.79 SMN1; SMN2 (0.36) PPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US claimed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO claimed
US-7932289-B2 Remedy for diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-26 US disclosed
US-20080319077-A1 Remedy for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-12-25 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO 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 (2 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-20080319077-A1 Remedy for Diabetes GPR119, GLP1R, GPR65 PTGER4 1323/4885PTGER3 1683/4885PTGER2 1913/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PTGER4 2147/4885PTGER3 4074/4885PTGER2 4649/4885

“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.