SCHEMBL6423378

SCHEMBL6423378

O=C(N[C@@H](CSCc1ccccc1)C(=O)O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR34 Q9UPC5 1/20 0.44
▸ FTO Q9C0B1 1/20 0.44
▸ PPARA Q07869 5/20 0.43
▸ PPARG P37231 4/20 0.43
▸ ACE P12821 2/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ S1PR5 Q9H228 1/20 0.42
▸ PPARD Q03181 4/20 0.42
▸ PTPN1 P18031 2/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ SMPD1 P17405 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40
▸ KIFC1 Q9BW19 1/20 0.40
▸ MME P08473 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 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
SCHEMBL6423381 1.00 GPR34 (0.44) GPR34FTOPPARAPPARGACE
SCHEMBL6365249 0.92 ACE (0.48) FTOPPARAPPARGACEPTPN1
SCHEMBL6365244 0.92 ACE (0.48) FTOPPARAPPARGACEPTPN1
SCHEMBL6372197 0.89 ACE (0.46) FTOPPARAPPARGACEPTPN1
SCHEMBL6372203 0.89 ACE (0.46) FTOPPARAPPARGACEPTPN1
SCHEMBL6366813 0.88 ACE (0.43) FTOPPARAPPARGACEPTPN1
SCHEMBL6366808 0.88 ACE (0.43) FTOPPARAPPARGACEPTPN1
SCHEMBL6365695 0.86 ACE (0.43) FTOPPARAPPARGACEPPARD
SCHEMBL6365690 0.86 ACE (0.43) FTOPPARAPPARGACEPPARD
SCHEMBL6371106 0.86 FTO (0.42) FTOPPARAPPARGACEPTPN1

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
US-20050272784-A1 Inhibitors of bacterial Type III protein secretion systems LI XIAOBING 2005-12-08 — — US disclosed
WO-2005113522-A1 AZOLE CARBOXAMIDE INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-12-01 — — WO 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-20050272784-A1 Inhibitors of bacterial Type III protein secretion systems GBA3, PSMB3, SEC61B GPR34 3741/4885FTO 4883/4885PPARA 4250/4885

“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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