SCHEMBL5802891

SCHEMBL5802891

O=C(N[C@@H](CSCc1ccccc1)C(=O)O)/C(=C\c1cccc(OCc2ccccc2)c1)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ GPR132 Q9UNW8 3/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.43
▸ ACE P12821 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ GPR34 Q9UPC5 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADCYAP1R1 P41586 1/20 0.39

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
SCHEMBL5802895 1.00 PPARG (0.46) PPARGPPARAGPR132MEN1KMT2A
SCHEMBL5802897 1.00 PPARG (0.46) PPARGPPARAGPR132MEN1KMT2A
SCHEMBL6357177 0.91 PPARG (0.48) PPARGPPARAGPR132MEN1KMT2A
SCHEMBL5805960 0.91 PPARG (0.48) PPARGPPARAGPR132MEN1KMT2A
SCHEMBL5805956 0.91 PPARG (0.48) PPARGPPARAGPR132MEN1KMT2A
SCHEMBL5805952 0.91 PPARG (0.48) PPARGPPARAGPR132MEN1KMT2A
SCHEMBL5805185 0.88 LMNA (0.45) PPARGPPARAACEPTPN1ACP1
SCHEMBL5805184 0.88 LMNA (0.45) PPARGPPARAACEPTPN1ACP1
SCHEMBL5805186 0.88 LMNA (0.45) PPARGPPARAACEPTPN1ACP1
SCHEMBL5802866 0.88 PPARG (0.45) PPARGPPARAGPR132MEN1KMT2A

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 4474/4885GPR132 2117/4885

“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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