Sugi Predict

Sugi Predict / Compounds / SCHEMBL17228293

SCHEMBL17228293

SCHEMBL17228293

O=S(=O)(Cl)c1cccc2cncc(C(F)F)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.37
▸ ROCK2 O75116 8/20 0.33
▸ ROCK1 Q13464 8/20 0.33
▸ PRKCD Q05655 3/20 0.33
▸ PLK4 O00444 2/20 0.33
▸ MARK3 P27448 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PKN2 Q16513 2/20 0.33
▸ MARK2 Q7KZI7 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ PRKD2 Q9BZL6 2/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ MAP2K3 P46734 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PKN1 Q16512 1/20 0.33
▸ MAP4K3 Q8IVH8 1/20 0.33
▸ TAOK3 Q9H2K8 1/20 0.33
▸ PRKACA P17612 3/20 0.32
▸ PRKD3 O94806 2/20 0.32

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
Hydrochloric Acid SCHEMBL28263188 0.84 TTR (0.38) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL2001999 0.81 MAPT (0.41) TRPV4ROCK2ROCK1PRKCDPLK4
SCHEMBL31537 0.80 ROCK2 (0.47) TRPV4ROCK2ROCK1PRKCDPLK4
Bromide SCHEMBL28709695 0.78 ROCK2 (0.46) TRPV4ROCK2ROCK1PRKCDPLK4
Iodide SCHEMBL28700199 0.78 ROCK2 (0.46) TRPV4ROCK2ROCK1PRKCDPLK4
Hydrochloric Acid SCHEMBL999448 0.78 ROCK2 (0.47) TRPV4ROCK2ROCK1PRKCDPLK4
SCHEMBL29469895 0.76 ROCK2 (0.50) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL2006560 0.76 ROCK2 (0.34) TRPV4ROCK2ROCK1PRKCDPLK4
SCHEMBL2000333 0.76 ROCK2 (0.50) ROCK2ROCK1PRKCDPLK4MARK3
SCHEMBL17228308 0.76 SLC22A12 (0.37) TRPV4ROCK2ROCK1PRKCDPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085525-B Isoquinolin sulfonyl derivative as RHO kinase inhibitor 南京明德新药研发股份有限公司 2019-01-04 — — CN disclosed
US-9856264-B2 Isoquinolinesulfonyl derivative as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2018-01-02 — — US disclosed
EP-3138843-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2017-03-08 — — EP disclosed
EP-3138843-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2017-03-08 — — EP disclosed
US-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-02-09 — — US disclosed
US-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-02-09 — — US disclosed
WO-2015165341-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR 南京明德新药研发股份有限公司 2015-11-05 — — 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-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT TRPV4 2061/4885ROCK2 2/4885ROCK1 1/4885

“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.