SCHEMBL5803490

SCHEMBL5803490

O=C(N[C@@H](CSCc1ccccc1)C(=O)O)C(=Cc1ccc(Oc2ccc(Cl)cc2)cc1)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.47
▸ PPARG P37231 8/20 0.47
▸ NPC1 O15118 1/20 0.43
▸ ACE P12821 3/20 0.43
▸ MAPK14 Q16539 2/20 0.41
▸ PPARD Q03181 2/20 0.40
▸ ICMT O60725 1/20 0.39
▸ CNR1 P21554 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
SCHEMBL5803491 1.00 PPARA (0.47) PPARAPPARGNPC1ACEMAPK14
SCHEMBL5803489 1.00 PPARA (0.47) PPARAPPARGNPC1ACEMAPK14
SCHEMBL5802884 0.95 PPARG (0.49) PPARAPPARGACEMAPK14PPARD
SCHEMBL5802875 0.95 PPARG (0.49) PPARAPPARGACEMAPK14PPARD
SCHEMBL5802879 0.95 PPARG (0.49) PPARAPPARGACEMAPK14PPARD
SCHEMBL5803574 0.94 PPARA (0.48) PPARAPPARGNPC1ACEPPARD
SCHEMBL5803576 0.94 PPARA (0.48) PPARAPPARGNPC1ACEPPARD
SCHEMBL5803572 0.94 PPARA (0.48) PPARAPPARGNPC1ACEPPARD
SCHEMBL5805185 0.93 LMNA (0.45) PPARAPPARGNPC1ACEMAPK14
SCHEMBL5805184 0.93 LMNA (0.45) PPARAPPARGNPC1ACEMAPK14

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 PPARA 4474/4885PPARG 4386/4885NPC1 2484/4885

“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.

Send feedback