SCHEMBL3969452

SCHEMBL3969452

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.37
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 1/20 0.36
CARM1 Q86X55 1/20 0.35
TPH1 P17752 4/20 0.35
CTSC P53634 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CTSH P09668 1/20 0.35
CYP2D6 P10635 1/20 0.35
CTSK P43235 1/20 0.35
ELANE P08246 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
BACE1 P56817 1/20 0.34
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL3874385 0.75 PRSS1 (0.35) OPRK1CTSCCYP1A2CYP3A4CTSH
SCHEMBL3870371 0.74 HDAC1 (0.44) S1PR1CARM1TPH1CTSCCYP1A2
SCHEMBL3969450 0.73 DCAF1 (0.35) S1PR1S1PR3HDAC6HDAC1HDAC8
SCHEMBL3877226 0.72 SMYD3 (0.37) CTSCCTSK
SCHEMBL3871942 0.72 DGAT1 (0.35) CTSCCTSK
SCHEMBL3870467 0.71 MMP1 (0.43) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL3869390 0.70 CTSK (0.36) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL3870369 0.68 CTSS (0.43) CYP3A4CTSK
SCHEMBL3872609 0.67 LIPG (0.35) CTSCCTSK
SCHEMBL3870538 0.67 CTSS (0.48) CTSCCTSK

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 OPRK1 1276/4885S1PR1 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.