SCHEMBL353221

SCHEMBL353221

COC(=O)c1nc(NC(=O)NCc2cccc(F)c2)sc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 2/20 0.52
ROCK2 O75116 5/20 0.50
ROCK1 Q13464 4/20 0.50
ANPEP P15144 1/20 0.44
EPHX2 P34913 1/20 0.44
MAPK1 P28482 2/20 0.44
NAMPT P43490 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
GLS O94925 1/20 0.41
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 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
SCHEMBL352490 0.86 ROCK2 (0.52) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL353526 0.83 ROCK2 (0.51) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL354189 0.83 ROCK2 (0.51) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL3655570 0.81 ROCK2 (0.49) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL3655568 0.80 ROCK2 (0.48) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL6287944 0.76 ATG4B (0.66) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL353092 0.74 ROCK2 (0.54) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL352386 0.73 ROCK2 (0.49) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL353146 0.73 ROCK2 (0.45) ATG4BROCK2ROCK1ANPEPEPHX2
SCHEMBL353147 0.73 ROCK2 (0.45) ATG4BROCK2ROCK1ANPEPEPHX2

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 5 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 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 ATG4B 761/4885ROCK2 4626/4885ROCK1 4747/4885

“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.