SCHEMBL24178331

SCHEMBL24178331

COc1ncc(C2CC2)c2c(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)C[C@H]3C)cccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.43
▸ ROCK1 Q13464 6/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ GPR119 Q8TDV5 4/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ APLNR P35414 1/20 0.37
▸ HPGDS O60760 1/20 0.37

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
SCHEMBL23795410 1.00 ROCK2 (0.43) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL23795307 0.90 ROCK2 (0.44) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL24178156 0.90 ROCK2 (0.44) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL23810443 0.89 ROCK2 (0.51) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL23795336 0.89 ROCK2 (0.51) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL23795420 0.83 MMP13 (0.45) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL23810437 0.83 MMP13 (0.45) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL30439085 0.82 CNR1 (0.45) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL23795320 0.79 ROCK2 (0.55) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL23795322 0.79 ROCK2 (0.55) ROCK2ROCK1MMP1MMP9MMP13

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-20220002265-A1 RHO KINASE INHIBITOR, METHOD FOR PREPARING SAME AND USES THEREOF BEIJING INCREASE INNOVATIVE DRUG CO., LTD (CN) 2022-01-06 — — 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-20220002265-A1 RHO KINASE INHIBITOR, METHOD FOR PREPARING SAME AND USES THEREOF ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885MMP1 218/4885

“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.

Send feedback