SCHEMBL16079003

SCHEMBL16079003

CC(C(=O)Nc1ccc2c(O)nccc2c1)c1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
PSEN1 P49768 8/20 0.42
PSEN2 P49810 8/20 0.42
APH1B Q8WW43 8/20 0.42
NCSTN Q92542 8/20 0.42
APH1A Q96BI3 8/20 0.42
PSENEN Q9NZ42 8/20 0.42
GRM4 Q14833 5/20 0.41
CYP2D6 P10635 2/20 0.39
F9 P00740 1/20 0.38
RIOK2 Q9BVS4 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
SCHEMBL1105175 0.88 ROCK2 (0.46) ROCK2ROCK1GRM4CYP2D6F9
Verosudil SCHEMBL31296115 0.86 ROCK2 (0.66) ROCK2ROCK1GRM4F9
Hydrochloric Acid SCHEMBL1096786 0.86 ROCK2 (0.46) ROCK2ROCK1GRM4F9
Hydrochloric Acid SCHEMBL1096782 0.86 ROCK2 (0.46) ROCK2ROCK1GRM4F9
Verosudil SCHEMBL30518358 0.86 ROCK2 (0.66) ROCK2ROCK1GRM4F9
Verosudil SCHEMBL1097102 0.86 ROCK2 (0.66) ROCK2ROCK1GRM4F9
Verosudil SCHEMBL30518344 0.86 ROCK2 (0.66) ROCK2ROCK1GRM4F9
Verosudil SCHEMBL16036842 0.86 ROCK2 (0.66) ROCK2ROCK1GRM4F9
Verosudil SCHEMBL1097105 0.86 ROCK2 (0.66) ROCK2ROCK1GRM4F9
SCHEMBL14642427 0.85 ROCK2 (0.45) ROCK2ROCK1GRM4F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236477-A1 COMBINATION THERAPY ALCON INC. (CH) 2021-08-05 US disclosed
US-9415043-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20140275161-A1 COMBINATION THERAPY ALCON INC. (CH) 2014-09-18 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 (2 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-20210236477-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885PSEN1 3354/4885
US-20140275161-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885PSEN1 3354/4885

“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.