SCHEMBL3869386

SCHEMBL3869386

CCc1nnc(C(=O)[C@H](CC(N)=O)NC(=O)[CH]CC(F)(F)Cc2ccccc2)o1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.35
CTSK P43235 7/20 0.35
CTSL P07711 6/20 0.35
CTSB P07858 6/20 0.35
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ELANE P08246 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3872602 0.84 LIPG (0.32) CTSSCTSKLMNARAB9AALDH1A1
SCHEMBL5393841 0.81 CTSS (0.35) CTSSCTSKCTSLCTSBMAPT
SCHEMBL3870461 0.81 MMP1 (0.40) RAB9AALDH1A1
SCHEMBL3871936 0.77 CNR2 (0.33) RAB9AALDH1A1
SCHEMBL3871979 0.76 FAAH (0.45) CTSSCTSKCTSLRAB9A
SCHEMBL3869390 0.75 CTSK (0.36) CTSSCTSKCTSLCTSBMAPT
SCHEMBL3873933 0.73 SMYD3 (0.36) LMNARAB9ATSHRALDH1A1
SCHEMBL5800404 0.72 CTSS (0.43) CTSSCTSK
SCHEMBL3873335 0.72 CMA1 (0.38) CTSSRAB9A
SCHEMBL6649847 0.71 CTSS (0.36) CTSSCTSKCTSLCTSBMAPT

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 CTSS 2/4885CTSK 3/4885CTSL 8/4885

“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.