SCHEMBL3509687

SCHEMBL3509687

CCCS(=O)(=O)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 2/20 0.48
NAMPT P43490 4/20 0.47
ATG4B Q9Y4P1 1/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PAX8 Q06710 1/20 0.43
NLRP3 Q96P20 1/20 0.43
EPHX2 P34913 1/20 0.43
AURKA O14965 1/20 0.42
CDK8 P49336 1/20 0.42
AURKB Q96GD4 1/20 0.42
IDH1 O75874 1/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
SGK1 O00141 1/20 0.40
AKT1 P31749 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
SCHEMBL3511574 0.91 ROCK2 (0.49) ROCK2ROCK1NAMPTATG4BNPC1
SCHEMBL3512621 0.83 ROCK2 (0.58) ROCK2ROCK1NAMPTATG4BEPHX2
SCHEMBL354453 0.83 ROCK2 (0.54) ROCK2ROCK1NAMPTATG4BNPC1
SCHEMBL353431 0.81 ROCK2 (0.55) ROCK2ROCK1NAMPTATG4BNPC1
SCHEMBL4795207 0.80 ROCK2 (0.46) ROCK2ROCK1NAMPTATG4BNPC1
SCHEMBL885465 0.80 ROCK2 (0.53) ROCK2ROCK1NAMPTATG4BNPC1
SCHEMBL885466 0.80 ROCK2 (0.53) ROCK2ROCK1NAMPTATG4BNPC1
SCHEMBL3508692 0.79 ROCK2 (0.44) ROCK2ROCK1NAMPTATG4BNPC1
SCHEMBL3512821 0.77 ROCK2 (0.56) ROCK2ROCK1NAMPTATG4BEPHX2
SCHEMBL4792455 0.77 ROCK2 (0.48) ROCK2ROCK1NAMPTATG4BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US claimed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US claimed
WO-2009015193-A1 ANTIBACTERIAL SULFONE AND SULFOXIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US disclosed
WO-2009015193-A1 ANTIBACTERIAL SULFONE AND SULFOXIDE 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-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD ROCK2 4700/4885ROCK1 4658/4885NAMPT 1258/4885

“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.