SCHEMBL6034690

SCHEMBL6034690

Cc1nn(-c2ccc(C(F)(F)F)cn2)cc1COc1ccc(OCC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.48
PPARG P37231 2/20 0.48
PPARA Q07869 3/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.43
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR1 O14842 1/20 0.41
GCGR P47871 1/20 0.41

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
SCHEMBL6035082 0.88 PPARD (0.52) PPARDPPARGPPARAPTGDR2FFAR4
SCHEMBL6035033 0.87 PPARA (0.52) PPARDPPARGPPARASMN1; SMN2HPGD
SCHEMBL6035888 0.84 PPARD (0.55) PPARDPPARGPPARAFFAR4FFAR1
SCHEMBL6036002 0.83 NR1H2 (0.45) PPARDPPARGPPARAPTGDR2SMN1; SMN2
SCHEMBL6036359 0.82 FFAR1 (0.47) PPARDPPARGPPARAFFAR4FFAR1
SCHEMBL6035594 0.82 FFAR1 (0.45) PPARDPPARGPPARASMN1; SMN2HPGD
SCHEMBL6218738 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HPGDNPC1MAPTRAB9A
SCHEMBL6035801 0.80 PPARD (0.45) PPARDPPARGPPARASMN1; SMN2HPGD
SCHEMBL3451544 0.79 ITGB3 (0.46) PPARDPPARGPPARASMN1; SMN2HPGD
SCHEMBL6035450 0.78 FFAR1 (0.37) PPARDPPARGPPARASMN1; SMN2HPGD

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 1 patent. 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

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 2488/4885PPARG 1037/4885PPARA 1717/4885

“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.