SCHEMBL6325804

SCHEMBL6325804

Cc1cc(C)cc(NC(=O)c2nc(-c3ccc(SC(C)(C)C(=O)O)cc3)sc2-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.45
▸ PPARA Q07869 6/20 0.45
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PPARD Q03181 3/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ KIT P10721 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ PARP1 P09874 1/20 0.37

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
SCHEMBL6326422 0.91 PPARG (0.46) PPARGPPARAMAPTTP53PPARD
SCHEMBL6328143 0.86 PPARG (0.47) PPARGPPARAMAPTTP53PPARD
SCHEMBL6326213 0.86 PPARG (0.48) PPARGPPARAMAPTTP53PPARD
SCHEMBL6333720 0.85 PPARG (0.58) PPARGPPARAMAPTTP53PPARD
SCHEMBL6329108 0.84 HIPK4 (0.40) PPARGPPARAMAPTTP53PPARD
SCHEMBL6335297 0.84 XDH (0.46) PPARGPPARAMAPTTP53PPARD
SCHEMBL6326299 0.83 XDH (0.47) PPARGPPARAMAPTPPARDMEN1
SCHEMBL6335252 0.82 PPARA (0.49) PPARGPPARAMAPTTP53PPARD
SCHEMBL6327314 0.82 TP53 (0.47) PPARGPPARAMAPTTP53PPARD
SCHEMBL6330961 0.82 STAT3 (0.47) PPARGPPARAMAPTTP53PPARD

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 PPARG 13/4885PPARA 49/4885MAPT 3022/4885

“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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