SCHEMBL1633669

SCHEMBL1633669

COc1cccc(CC(=O)O)c1OCCCc1cn(-c2ccc(C(F)(F)F)cn2)nc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
PPARD Q03181 5/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 1/20 0.34
HDAC4 P56524 1/20 0.34
TIPARP Q7Z3E1 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 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
SCHEMBL6035784 0.98 PPARG (0.41) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL6036112 0.96 PPARG (0.40) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL6036437 0.93 PPARG (0.41) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL6035119 0.93 SMN1; SMN2 (0.40) PPARGSMN1; SMN2PPARDPPARAKDM4E
SCHEMBL6034968 0.93 HCRTR1 (0.38) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL1634394 0.92 PPARG (0.40) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL6035762 0.92 PPARG (0.40) PPARGHCRTR1HCRTR2SMN1; SMN2TSHR
SCHEMBL6035546 0.91 PPARG (0.48) PPARGSMN1; SMN2TSHRTAAR1ITGB1
SCHEMBL6035590 0.91 GCGR (0.36) PPARGHCRTR1HCRTR2SMN1; SMN2PPARD
SCHEMBL6036239 0.90 HDAC4 (0.35) PPARGHCRTR1HCRTR2SMN1; SMN2PPARD

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-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
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 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.