SCHEMBL3601946

SCHEMBL3601946

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
DPP4 P27487 10/20 0.50
PREP P48147 3/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL8250574 0.88 DPP4 (0.54) DPP4PREPDPP8DPP9
SCHEMBL13444797 0.87 DPP4 (0.50) CTSSCTSKDPP4PREPDPP8
SCHEMBL13463794 0.87 DPP4 (0.50) CTSSCTSKDPP4PREPDPP8
SCHEMBL6111437 0.85 PREP (0.48) DPP4PREPDPP8DPP9
SCHEMBL5916433 0.85 PREP (0.48) DPP4PREPDPP8DPP9
SCHEMBL5366301 0.85 PREP (0.48) DPP4PREPDPP8DPP9
SCHEMBL4906172 0.84 DPP4 (0.55) DPP4PREPDPP8DPP9
SCHEMBL5366307 0.84 DPP4 (0.50) DPP4PREPDPP8DPP9
SCHEMBL4905274 0.83 DPP4 (0.59) DPP4PREPDPP8DPP9
SCHEMBL13035141 0.83 DPP4 (0.46) DPP4PREPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232272-B2 Benzimidazoledihydrothiadiazinone derivatives as fructose-1,6-bisphosphatase inhibitors, and pharmaceutical compositions comprising same MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-07-31 US claimed
US-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-11 US claimed
US-8232272-B2 Benzimidazoledihydrothiadiazinone derivatives as fructose-1,6-bisphosphatase inhibitors, and pharmaceutical compositions comprising same MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-07-31 US disclosed
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-11 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP 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 (2 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-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FBP1, ALDOA, GCK CTSL 2871/4885CTSB 1290/4885CTSS 1253/4885
US-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 CTSL 222/4885CTSB 157/4885CTSS 232/4885

“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.