SCHEMBL5802866

SCHEMBL5802866

O=C(N[C@@H](CSCc1ccccc1)C(=O)O)C(=Cc1ccc(OCc2ccncc2)cc1)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR132 Q9UNW8 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.39
▸ GPR34 Q9UPC5 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
SCHEMBL5802861 1.00 PPARG (0.45) PPARGPPARALMNAALDH1A1MAPT
SCHEMBL5802869 1.00 PPARG (0.45) PPARGPPARALMNAALDH1A1MAPT
SCHEMBL5805952 0.96 PPARG (0.48) PPARGPPARAMAPTGPR132ACE
SCHEMBL5805956 0.96 PPARG (0.48) PPARGPPARAMAPTGPR132ACE
SCHEMBL6357177 0.96 PPARG (0.48) PPARGPPARAMAPTGPR132ACE
SCHEMBL5805960 0.96 PPARG (0.48) PPARGPPARAMAPTGPR132ACE
SCHEMBL5802875 0.88 PPARG (0.49) PPARGPPARALMNAMAPTACE
SCHEMBL5802884 0.88 PPARG (0.49) PPARGPPARALMNAMAPTACE
SCHEMBL5802879 0.88 PPARG (0.49) PPARGPPARALMNAMAPTACE
SCHEMBL5802891 0.88 PPARG (0.46) PPARGPPARALMNAALDH1A1GPR132

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 4474/4885LMNA 3465/4885

“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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