SCHEMBL3880331

SCHEMBL3880331

CCC(NC(=O)OC(C)(C)C)[C@H](O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CTSK P43235 10/20 0.48
CTSS P25774 6/20 0.48
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
KLK5 Q9Y337 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5460214 1.00 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL3614140 1.00 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL4182916 1.00 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL7726457 0.87 CTSK (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL3206074 0.87 CTSK (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL3682448 0.87 CTSK (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL28367401 0.86 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL28367402 0.86 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL4177443 0.85 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL19076115 0.85 CA1 (0.50) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 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
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US 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
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US disclosed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 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 (6 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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE CA1 437/4885CA2 224/4885CA7 294/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE CA1 437/4885CA2 224/4885CA7 294/4885
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CA1 338/4885CA2 207/4885CA7 249/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE CA1 377/4885CA2 241/4885CA7 316/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CA1 338/4885CA2 207/4885CA7 249/4885
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK CA1 623/4885CA2 273/4885CA7 279/4885

“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.