SCHEMBL6035546

SCHEMBL6035546

COc1cccc(CC(=O)O)c1OCCCc1cn(-c2ncc(C(F)(F)F)cn2)nc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
TAAR1 Q96RJ0 2/20 0.37
ALKBH1 Q13686 2/20 0.36
SCN9A Q15858 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARD Q03181 5/20 0.35
PPARA Q07869 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 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
SCHEMBL6035235 0.93 PPARG (0.44) PPARGTAAR1ALKBH1SCN9ATSHR
SCHEMBL1633669 0.91 PPARG (0.43) PPARGTAAR1SCN9ATSHRSMN1; SMN2
SCHEMBL6035621 0.90 PPARG (0.44) PPARGTAAR1PPARDPPARA
SCHEMBL6035784 0.89 PPARG (0.41) PPARGTAAR1TSHRSMN1; SMN2PPARD
SCHEMBL6034930 0.88 PPARG (0.47) PPARGSMN1; SMN2ALDH1A1
SCHEMBL6036096 0.88 PPARG (0.47) PPARGALKBH1SCN9AALDH1A1
SCHEMBL6035894 0.87 PPARG (0.44) PPARGTAAR1SCN9ATSHRSMN1; SMN2
SCHEMBL6036112 0.87 PPARG (0.40) PPARGTAAR1TSHRSMN1; SMN2PPARD
SCHEMBL6034618 0.87 PPARG (0.46) PPARGALKBH1SCN9APPARDALDH1A1
SCHEMBL6035887 0.85 PPARG (0.43) PPARGTAAR1SCN9AALDH1A1

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 PPARG 1037/4885TAAR1 2368/4885ALKBH1 1938/4885

“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.