SCHEMBL6335247

SCHEMBL6335247

CCc1ccc(NC(=O)c2nc(-c3ccc(SC(C)(C)C(=O)O)cc3)sc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.43
▸ PPARG P37231 2/20 0.43
▸ PPARD Q03181 2/20 0.43
▸ XDH P47989 1/20 0.43
▸ MAPT P10636 5/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TBXAS1 P24557 2/20 0.39
▸ SLC22A12 Q96S37 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL6326299 0.94 XDH (0.47) PPARAPPARGPPARDXDHMAPT
SCHEMBL6326213 0.93 PPARG (0.48) PPARAPPARGPPARDMAPTKMT2A
SCHEMBL6328143 0.92 PPARG (0.47) PPARAPPARGPPARDXDHMAPT
SCHEMBL6335297 0.91 XDH (0.46) PPARAPPARGPPARDXDHMAPT
SCHEMBL6334770 0.90 XDH (0.43) PPARAPPARGPPARDXDHMAPT
SCHEMBL6328043 0.89 STAT3 (0.47) PPARAPPARGPPARDMAPTKMT2A
SCHEMBL6327399 0.88 ALOX5 (0.47) PPARAPPARGPPARDXDHMAPT
SCHEMBL6328035 0.88 ALOX5 (0.47) PPARAPPARGPPARDXDHMAPT
SCHEMBL6334499 0.88 PPARA (0.47) PPARAPPARGPPARDXDHMAPT
SCHEMBL6336404 0.87 MAPT (0.42) PPARAPPARGPPARDXDHMAPT

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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC PPARA 49/4885PPARG 13/4885PPARD 55/4885

“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.

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