SCHEMBL6365970

SCHEMBL6365970

COC(=O)C(CSCc1ccccc1)NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.43
▸ MAPT P10636 1/20 0.38
▸ CTSG P08311 2/20 0.38
▸ CMA1 P23946 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ ACE P12821 2/20 0.38
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ FTO Q9C0B1 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ CTRB1 P17538 1/20 0.35

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
SCHEMBL6365287 1.00 ELANE (0.43) ELANEMAPTCTSGCMA1PPARG
SCHEMBL6372971 0.93 ELANE (0.47) ELANEMAPTPPARGPPARAACE
SCHEMBL6372963 0.93 ELANE (0.47) ELANEMAPTPPARGPPARAACE
SCHEMBL6366813 0.92 ACE (0.43) ELANEPPARGPPARAACEPTPN1
SCHEMBL6366808 0.92 ACE (0.43) ELANEPPARGPPARAACEPTPN1
SCHEMBL6364946 0.87 ELANE (0.43) ELANEMAPTPPARGPPARAACE
SCHEMBL6365736 0.86 HDAC4 (0.46) ELANE
SCHEMBL6365727 0.86 HDAC4 (0.46) ELANE
SCHEMBL6365249 0.85 ACE (0.48) ELANEPPARGPPARAACEPTPN1
SCHEMBL6365244 0.85 ACE (0.48) ELANEPPARGPPARAACEPTPN1

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 ELANE 117/4885MAPT 4549/4885CTSG 846/4885

“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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