SCHEMBL3969450

SCHEMBL3969450

NC(=O)C[C@H](NC(=O)[CH]CC(F)(F)Cc1ccccc1)c1noc(-c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCAF1 Q9Y4B6 11/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
KCNT1 Q5JUK3 1/20 0.31
VSIR Q9H7M9 2/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL3873933 0.74 SMYD3 (0.36) KCNT1
SCHEMBL3874379 0.74 PRSS1 (0.33) HDAC6HDAC1
SCHEMBL3969452 0.73 OPRK1 (0.37) S1PR1S1PR3HDAC6HDAC1HDAC8
SCHEMBL3871936 0.73 CNR2 (0.33)
SCHEMBL3870461 0.71 MMP1 (0.40) HDAC6HDAC1HDAC8
SCHEMBL3872602 0.70 LIPG (0.32) HDAC6HDAC1
SCHEMBL3869386 0.69 CTSS (0.35)
SCHEMBL3870014 0.67 FAAH (0.40) HDAC6HDAC1HDAC8
SCHEMBL3870366 0.66 HDAC6 (0.42) S1PR1HDAC6HDAC1HDAC8
SCHEMBL3871979 0.66 FAAH (0.45)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP claimed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO claimed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO claimed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK DCAF1 3596/4885S1PR1 4086/4885S1PR3 3946/4885

“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.