SCHEMBL4897171

SCHEMBL4897171

C[C@H]1CN(C(=O)OC(C)(C)C)CCCCN1S(=O)(=O)c1cccc2cncc(Br)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.55
ROCK1 Q13464 12/20 0.55
PRKACA P17612 2/20 0.48
PLK4 O00444 2/20 0.48
MARK3 P27448 2/20 0.48
PRKCD Q05655 2/20 0.48
PRKAA1 Q13131 2/20 0.48
PKN2 Q16513 2/20 0.48
MARK2 Q7KZI7 2/20 0.48
AURKB Q96GD4 2/20 0.48
PRKD2 Q9BZL6 2/20 0.48
AURKA O14965 1/20 0.48
DCLK1 O15075 1/20 0.48
PDPK1 O15530 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
LCK P06239 1/20 0.48
CDK1 P06493 1/20 0.48
FGFR1 P11362 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
SCHEMBL4897179 1.00 ROCK2 (0.55) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL4893182 0.98 ROCK2 (0.57) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL4893172 0.98 ROCK2 (0.57) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL4887132 0.95 ROCK2 (0.51) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL4887123 0.95 ROCK2 (0.51) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL4898445 0.89 ROCK2 (0.68) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL4895676 0.89 ROCK2 (0.55) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL4895685 0.89 ROCK2 (0.55) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL4898442 0.89 ROCK2 (0.68) ROCK2ROCK1PRKACAPLK4MARK3
SCHEMBL14520576 0.89 ROCK2 (0.59) ROCK2ROCK1PRKACAPLK4MARK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064681-A1 Therapeutic agent for treating glaucoma D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2008-03-13 US disclosed
US-20080064681-A1 Therapeutic agent for treating glaucoma D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2008-03-13 US disclosed
US-20080064681-A1 Therapeutic agent for treating glaucoma D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2008-03-13 US 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-20080064681-A1 Therapeutic agent for treating glaucoma PDE6G, PDE3A, PDE5A ROCK2 194/4885ROCK1 111/4885PRKACA 1537/4885

“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.