SCHEMBL6371106

SCHEMBL6371106

O=C(N[C@@H](CSCc1ccccc1)C(=O)O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(-c2nccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 1/20 0.42
▸ ACE P12821 3/20 0.42
▸ PPARA Q07869 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ ELANE P08246 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTPN1 P18031 2/20 0.36

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
SCHEMBL6371117 1.00 FTO (0.42) FTOACEPPARAPPARGELANE
SCHEMBL6365244 0.90 ACE (0.48) FTOACEPPARAPPARGELANE
SCHEMBL6365249 0.90 ACE (0.48) FTOACEPPARAPPARGELANE
SCHEMBL6372197 0.90 ACE (0.46) FTOACEPPARAPPARGELANE
SCHEMBL6372203 0.90 ACE (0.46) FTOACEPPARAPPARGELANE
SCHEMBL6365025 0.89 ACE (0.43) FTOACEPPARAPPARGELANE
SCHEMBL6365028 0.89 ACE (0.43) FTOACEPPARAPPARGELANE
SCHEMBL6423378 0.86 GPR34 (0.44) FTOACEPPARAPPARGELANE
SCHEMBL6366515 0.86 FTO (0.44) FTOACEPPARAPPARGELANE
SCHEMBL6366521 0.86 FTO (0.44) FTOACEPPARAPPARGELANE

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 FTO 4883/4885ACE 1126/4885PPARA 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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