SCHEMBL1634394

SCHEMBL1634394

CCC(CC)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1c(CC(=O)O)cccc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 1/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 3/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
GCGR P47871 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APLNR P35414 1/20 0.33
SCN9A Q15858 2/20 0.33
HPGD P15428 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
SCHEMBL6036352 0.94 SMN1; SMN2 (0.40) PPARGSMN1; SMN2PPARDPPARAKDM4E
SCHEMBL6036437 0.93 PPARG (0.41) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL1633669 0.92 PPARG (0.43) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL6035452 0.92 GCGR (0.35) PPARGHCRTR1HCRTR2SMN1; SMN2PPARD
SCHEMBL6035913 0.91 SMN1; SMN2 (0.35) PPARGSMN1; SMN2PPARDPPARAKDM4E
SCHEMBL6035873 0.91 GCGR (0.34) PPARGHCRTR1HCRTR2SMN1; SMN2PPARD
SCHEMBL6035235 0.91 PPARG (0.44) PPARGSMN1; SMN2TSHRPPARDPPARA
SCHEMBL6035762 0.90 PPARG (0.40) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL6035784 0.90 PPARG (0.41) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL6036248 0.90 PPARD (0.40) PPARGSMN1; SMN2PPARDPPARAKDM4E

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 7 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
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
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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 PPARG 38/4885HCRTR1 567/4885HCRTR2 464/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PPARG 1037/4885HCRTR1 215/4885HCRTR2 321/4885

“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.