SCHEMBL321049

SCHEMBL321049

CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.50
CTSK P43235 6/20 0.50
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
ITGB8 P26012 1/20 0.44
CTSB P07858 3/20 0.43
FFAR1 O14842 1/20 0.43
CTSL P07711 2/20 0.43
EEF2K O00418 1/20 0.42
KDM4D Q6B0I6 1/20 0.41
EGLN2 Q96KS0 3/20 0.41
EGLN1 Q9GZT9 3/20 0.41
CTSA P10619 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41

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
SCHEMBL4968810 1.00 CTSS (0.50) CTSSCTSKITGB3ITGAVITGB5
SCHEMBL321050 1.00 CTSS (0.50) CTSSCTSKITGB3ITGAVITGB5
SCHEMBL14436615 0.88 CTSS (0.49) CTSSCTSKCTSBCTSLKDM4D
SCHEMBL4839064 0.88 CTSS (0.49) CTSSCTSKCTSBCTSLKDM4D
SCHEMBL4839068 0.88 CTSS (0.49) CTSSCTSKCTSBCTSLKDM4D
SCHEMBL1147765 0.85 CTSS (0.48) CTSSCTSKITGB3ITGAVITGB5
SCHEMBL4745227 0.85 CTSS (0.48) CTSSCTSKITGB3ITGAVITGB5
SCHEMBL28008559 0.85 CTSS (0.48) CTSSCTSKITGB3ITGAVITGB5
SCHEMBL4035607 0.85 CTSS (0.50) CTSSCTSKCTSBCTSL
SCHEMBL4968776 0.85 CTSS (0.46) CTSSCTSKCTSBCTSLKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA CTSS 1887/4885CTSK 1048/4885ITGB3 1549/4885

“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.