SCHEMBL23927685

SCHEMBL23927685

C=CCOC(=O)NCC(C(=O)Nc1cc2c(F)cncc2s1)c1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
ROCK2 O75116 3/20 0.34
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
ROCK1 Q13464 2/20 0.33
MYLK4 Q86YV6 2/20 0.33
VCAM1 P19320 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL23927703 0.89 ROCK2 (0.38) EGFRROCK2ROCK1
SCHEMBL23927614 0.88 EGFR (0.37) EGFRROCK2MAPTALDH1A1
SCHEMBL28408118 0.81 ICAM1 (0.40) ROCK2ICAM1SELEROCK1MYLK4
SCHEMBL23501200 0.80 ROCK2 (0.52) ROCK2ICAM1SELEROCK1MYLK4
SCHEMBL30744167 0.80 ROCK2 (0.52) ROCK2ICAM1SELEROCK1MYLK4
SCHEMBL23501202 0.80 ROCK2 (0.52) ROCK2ICAM1SELEROCK1MYLK4
SCHEMBL23927687 0.79 ROCK2 (0.35) ROCK2ICAM1SELEROCK1MYLK4
SCHEMBL23927681 0.79 ROCK2 (0.35) ROCK2ICAM1SELEROCK1MYLK4
SCHEMBL23927612 0.77 ROCK2 (0.41) ROCK2ROCK1MYLK4
SCHEMBL23522334 0.76 RAB9A (0.42) ROCK2ICAM1SELEVCAM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 EGFR 3359/4885ROCK2 3/4885ICAM1 2769/4885

“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.