SCHEMBL6035302

SCHEMBL6035302

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1cc(CCC(=O)O)n(C2CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
DGAT1 O75907 1/20 0.35
HPGD P15428 1/20 0.34
GCG P01275 3/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
GCGR P47871 2/20 0.33
LMNA P02545 1/20 0.33
S100A4 P26447 1/20 0.32
FABP3 P05413 2/20 0.32
FABP4 P15090 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6036249 0.91 GCGR (0.35) PPARDPPARASMN1; SMN2DGAT1HPGD
SCHEMBL6036211 0.89 GCG (0.35) PPARDPPARAGCGGCGRS100A4
SCHEMBL6035374 0.88 GCGR (0.37) PPARDPPARAKDM4EDGAT1GCG
SCHEMBL6035777 0.86 SMN1; SMN2 (0.37) PPARDPPARASMN1; SMN2KDM4EHPGD
SCHEMBL1633424 0.84 SMN1; SMN2 (0.37) PPARDPPARASMN1; SMN2KDM4EDGAT1
SCHEMBL6035372 0.82 PPARD (0.36) PPARDPPARASMN1; SMN2KDM4EDGAT1
SCHEMBL6036044 0.81 SMN1; SMN2 (0.37) PPARDPPARASMN1; SMN2KDM4EHPGD
SCHEMBL6035388 0.81 SMN1; SMN2 (0.37) PPARDPPARASMN1; SMN2KDM4EDGAT1
SCHEMBL6036233 0.79 GCGR (0.38) PPARDPPARADGAT1GCGHCRTR1
SCHEMBL1633062 0.78 PPARG (0.41) PPARDPPARASMN1; SMN2KDM4EGCGR

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 2 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 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 (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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PPARD 2488/4885PPARA 1717/4885SMN1; SMN2 4408/4885

“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.