SCHEMBL17494285

SCHEMBL17494285

COC(=O)c1cc(F)c(Br)c(CO[Si](C)(C)C(C)(C)C)c1NC1CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 1/20 0.34
OPRK1 P41145 5/20 0.32
ADORA1 P30542 1/20 0.30
GAA P10253 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL19194821 0.81 ROCK2 (0.37) ROCK2ROCK1OPRK1ADORA1GAA
SCHEMBL17494435 0.81 SOS1 (0.43)
SCHEMBL17494506 0.79 OPRK1 (0.30) OPRK1
SCHEMBL17494200 0.75 ROCK2 (0.39) ROCK2ROCK1OPRK1GAA
SCHEMBL17494343 0.74 ROCK2 (0.40) ROCK2ROCK1OPRK1GAA
SCHEMBL17494439 0.71 ROCK2 (0.36) ROCK2ROCK1OPRK1GAA
SCHEMBL17494201 0.71 KDM4E (0.40) ROCK2ROCK1OPRK1GAA
SCHEMBL17494507 0.70 OPRK1 (0.33) ROCK2ROCK1OPRK1ADORA1PDE4B
SCHEMBL15543439 0.66 SCN9A (0.41) GAA
SCHEMBL19180024 0.65 KCNH2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160726-B2 Quinolone derivatives as antibacterials NOVARTIS AG (CH) 2018-12-25 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
EP-3177593-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS Novartis AG (CH) 2017-06-14 EP disclosed
WO-2016020836-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS NOVARTIS AG (CH) 2016-02-11 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 (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-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A ROCK2 1635/4885ROCK1 788/4885OPRK1 2374/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A ROCK2 1635/4885ROCK1 788/4885OPRK1 2374/4885

“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.