SCHEMBL5805956

SCHEMBL5805956

O=C(N[C@@H](CSCc1ccccc1)C(=O)O)C(=Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.48
▸ PPARA Q07869 7/20 0.48
▸ ACE P12821 2/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.42
▸ GPR34 Q9UPC5 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ MME P08473 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ MAOB P27338 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40

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
SCHEMBL6357177 1.00 PPARG (0.48) PPARGPPARAACESLC6A5GPR34
SCHEMBL5805960 1.00 PPARG (0.48) PPARGPPARAACESLC6A5GPR34
SCHEMBL5805952 1.00 PPARG (0.48) PPARGPPARAACESLC6A5GPR34
SCHEMBL5802861 0.96 PPARG (0.45) PPARGPPARAACESLC6A5GPR34
SCHEMBL5802869 0.96 PPARG (0.45) PPARGPPARAACESLC6A5GPR34
SCHEMBL5802866 0.96 PPARG (0.45) PPARGPPARAACESLC6A5GPR34
SCHEMBL5802879 0.92 PPARG (0.49) PPARGPPARAACEPPARDMEN1
SCHEMBL5802884 0.92 PPARG (0.49) PPARGPPARAACEPPARDMEN1
SCHEMBL5802875 0.92 PPARG (0.49) PPARGPPARAACEPPARDMEN1
SCHEMBL5802897 0.91 PPARG (0.46) PPARGPPARAACEGPR34PPARD

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
WO-2006083266-A1 INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-10 — — WO disclosed
US-20050250819-A1 Inhibitors of bacterial type III protein secretion systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 — — 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-20050250819-A1 Inhibitors of bacterial type III protein secretion systems PSMB3, GBA3, PSMG3 PPARG 4386/4885PPARA 4474/4885ACE 1026/4885

“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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