SCHEMBL21754426

SCHEMBL21754426

CC(O)OCc1ccc(C(CNC(=O)OC(C)(C)C)C(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.58
ROCK1 Q13464 5/20 0.52
MYLK4 Q86YV6 1/20 0.52

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
SCHEMBL19750632 0.91 ROCK2 (0.61) ROCK2ROCK1MYLK4
SCHEMBL2775172 0.89 ROCK2 (0.57) ROCK2ROCK1MYLK4
SCHEMBL30078319 0.89 ROCK2 (0.67) ROCK2ROCK1MYLK4
SCHEMBL30483630 0.89 ROCK2 (0.67) ROCK2ROCK1MYLK4
SCHEMBL2776088 0.89 ROCK2 (0.67) ROCK2ROCK1MYLK4
SCHEMBL2779487 0.89 ROCK2 (0.66) ROCK2ROCK1MYLK4
SCHEMBL30279716 0.89 ROCK2 (0.66) ROCK2ROCK1MYLK4
SCHEMBL17993613 0.89 ROCK2 (0.66) ROCK2ROCK1MYLK4
SCHEMBL24049725 0.88 ROCK2 (0.53) ROCK2ROCK1MYLK4
SCHEMBL22593380 0.86 ROCK2 (0.73) ROCK2ROCK1

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-10568878-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2020-02-25 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-10568878-B2 Combination therapy PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885MYLK4 612/4885

“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.