SCHEMBL4898445

SCHEMBL4898445

CC1CN(C(=O)OC(C)(C)C)CCCCN1S(=O)(=O)c1cccc2cncc(F)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.68
ROCK1 Q13464 12/20 0.68
PLK4 O00444 2/20 0.60
MARK3 P27448 2/20 0.60
PRKCD Q05655 2/20 0.60
PRKAA1 Q13131 2/20 0.60
PKN2 Q16513 2/20 0.60
MARK2 Q7KZI7 2/20 0.60
AURKB Q96GD4 2/20 0.60
PRKD2 Q9BZL6 2/20 0.60
NQO2 P16083 1/20 0.60
MAP2K3 P46734 1/20 0.60
CDK9 P50750 1/20 0.60
PRKAG1 P54619 1/20 0.60
PKN1 Q16512 1/20 0.60
MAP4K3 Q8IVH8 1/20 0.60
TAOK3 Q9H2K8 1/20 0.60
PRKACA P17612 2/20 0.48
AURKA O14965 1/20 0.48
DCLK1 O15075 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
SCHEMBL4898442 1.00 ROCK2 (0.68) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL14990561 0.98 ROCK2 (0.70) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL31541 0.98 ROCK2 (0.70) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL4895685 0.89 ROCK2 (0.55) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL4895676 0.89 ROCK2 (0.55) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL4897171 0.89 ROCK2 (0.55) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL4897179 0.89 ROCK2 (0.55) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL14520576 0.89 ROCK2 (0.59) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL4897667 0.88 ROCK2 (0.57) ROCK2ROCK1PLK4MARK3PRKCD
SCHEMBL4893172 0.88 ROCK2 (0.57) ROCK2ROCK1PLK4MARK3PRKCD

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 1 patent. 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

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 111/4885PLK4 3720/4885

“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.