SCHEMBL4795008

SCHEMBL4795008

CC(C)(C)OC(=O)NC(CO)CC#N

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.50
CTSK P43235 14/20 0.50
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL4795003 1.00 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL5115667 0.87 CTSS (0.57) CTSSCTSKCTSLCTSBCA1
SCHEMBL1722314 0.87 CTSS (0.57) CTSSCTSKCTSLCTSBCA1
SCHEMBL22109892 0.86 CTSK (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL25319652 0.84 CTSS (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL25319648 0.84 CTSS (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL12602587 0.84 CTSK (0.59) CTSSCTSKCTSLCTSBCA1
SCHEMBL9697740 0.84 CTSS (0.52) CTSSCTSKCTSLCTSB
SCHEMBL16839646 0.84 SYK (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL31086524 0.84 CYP2D6 (0.50) CTSSCTSKCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117083279-A Oxazepine compounds and their use in the treatment of cancer 基因泰克公司 2023-11-17 CN disclosed
CN-110678469-B Substituted pyrimidinium compounds and derivatives for combating animal pests 巴斯夫欧洲公司 2023-03-03 CN disclosed
US-11542280-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests BASF SE (DE) 2023-01-03 US disclosed
US-20200131198-A1 Substituted pyrimidinium compounds and derivatives for combating animal pests BASF SE (DE) 2020-04-30 US disclosed
EP-3642203-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2020-04-29 EP disclosed
CN-110678469-A Substituted pyrimidinium compounds and derivatives for combating animal pests 巴斯夫欧洲公司 2020-01-10 CN disclosed
WO-2018234202-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2018-12-27 WO disclosed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
US-5578627-A FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY TOYAMA CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0665226-A1 NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1995-08-02 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 (4 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20200131198-A1 Substituted pyrimidinium compounds and derivatives for combating animal pests THOP1, PNPO, TH CTSS 2263/4885CTSK 2785/4885CTSL 2794/4885
US-11542280-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests THOP1, PNPO, TH CTSS 2263/4885CTSK 2785/4885CTSL 2794/4885

“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.