SCHEMBL3870028

SCHEMBL3870028

CCC(NC(=O)[C@@H](N)CC(C)(F)F)C(=O)c1nnc(C2CC2)o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
PDK2 Q15119 2/20 0.35
PDK1 Q15118 1/20 0.35
CTSK P43235 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ADCY1 Q08828 3/20 0.31
ADCY8 P40145 2/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL3870489 0.89 DPP4 (0.34) DPP4PDK2PDK1CTSKMEN1
SCHEMBL3872609 0.86 LIPG (0.35) CTSKMEN1KMT2AADCY1CTSL
SCHEMBL3871951 0.80 HSD11B1 (0.32) DPP4
SCHEMBL3870025 0.76 PDK1 (0.33) DPP4PDK2PDK1CTSKMEN1
SCHEMBL3870483 0.73 PDK1 (0.30) PDK2PDK1
SCHEMBL13937549 0.73 CTSS (0.40) CTSKCTSLCTSS
SCHEMBL6265703 0.73 KMT2A (0.38) DPP4PDK2PDK1CTSKMEN1
SCHEMBL3877761 0.72 CTSS (0.49) CTSKCTSLCTSS
SCHEMBL3869252 0.71 KDM4E (0.41) KMT2APKM
SCHEMBL8290655 0.71 CTSS (0.45) CTSKCTSLCTSS

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 7 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-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 DPP4 485/4885PDK2 3808/4885PDK1 4009/4885

“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.