SCHEMBL4351197

SCHEMBL4351197

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.51
ROCK1 Q13464 7/20 0.48
CCR2 P41597 2/20 0.48
PRKD3 O94806 2/20 0.48
PRKCG P05129 2/20 0.48
PRKCB P05771 2/20 0.48
CYP3A4 P08684 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
PRKCA P17252 2/20 0.48
PRKACA P17612 2/20 0.48
PRKACG P22612 2/20 0.48
PRKACB P22694 2/20 0.48
PRKCH P24723 2/20 0.48
PRKCI P41743 2/20 0.48
PRKCE Q02156 2/20 0.48
PRKCQ Q04759 2/20 0.48
PRKCZ Q05513 2/20 0.48
PRKCD Q05655 2/20 0.48
PRKD1 Q15139 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL4524878 1.00 ROCK2 (0.51) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4187543 0.93 ROCK2 (0.53) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4183290 0.93 ROCK2 (0.53) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL13606912 0.86 ROCK2 (0.51) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL13606910 0.86 ROCK2 (0.51) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL987296 0.83 ROCK2 (0.59) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4194658 0.82 ROCK2 (0.59) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4188306 0.82 ROCK2 (0.60) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4195009 0.82 ROCK2 (0.60) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4192106 0.81 ROCK2 (0.62) ROCK2ROCK1CCR2PRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US disclosed
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US disclosed
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US disclosed
EP-1878732-B1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR WESTERN THERAPEUTICS INST INC (JP) 2009-02-25 EP disclosed
EP-1878732-A1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR D. Western Therapeutics Institute (JP) 2008-01-16 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 (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-20090306053-A1 Highly selective rho-kinase inhibitor ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885CCR2 2940/4885

“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.