SCHEMBL351804

SCHEMBL351804

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)CCC(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.53
ROCK1 Q13464 14/20 0.53
ATG4B Q9Y4P1 1/20 0.41
POLB P06746 1/20 0.41
SGK1 O00141 1/20 0.41
AKT1 P31749 1/20 0.41
GSK3B P49841 1/20 0.41
LIMK1 P53667 1/20 0.41
TNK2 Q07912 1/20 0.41
DMPK Q09013 1/20 0.41
MYLK Q15746 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL355202 0.88 ROCK2 (0.52) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL353181 0.86 ROCK1 (0.53) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL354425 0.85 ROCK1 (0.54) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL883857 0.84 ROCK1 (0.53) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL352121 0.83 ROCK1 (0.60) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL351562 0.83 ROCK1 (0.55) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL354024 0.83 ROCK1 (0.55) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL353740 0.82 ROCK1 (0.55) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL354720 0.82 ROCK1 (0.56) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL19118705 0.82 ROCK1 (0.58) ROCK2ROCK1ATG4BSGK1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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 (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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ROCK2 4626/4885ROCK1 4747/4885ATG4B 761/4885

“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.