SCHEMBL3511697

SCHEMBL3511697

COc1ccc(S(=O)(=O)Cc2csc(NC(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.47
ROCK2 O75116 3/20 0.47
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NAMPT P43490 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CSNK1D P48730 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ENPP2 Q13822 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
SCHEMBL3512275 0.89 ROCK1 (0.51) ROCK1ROCK2NAMPTCSNK1DRAB9A
SCHEMBL3511578 0.86 ROCK1 (0.52) ROCK1ROCK2CSNK1DRAB9ATSHR
SCHEMBL3513585 0.85 ROCK1 (0.54) ROCK1ROCK2KMT2AALDH1A1NAMPT
SCHEMBL353118 0.84 ROCK1 (0.47) ROCK1ROCK2KMT2AALDH1A1CSNK1D
SCHEMBL4781265 0.82 POLB (0.48) ROCK1ROCK2KMT2AALDH1A1MAPT
SCHEMBL4795390 0.82 ROCK1 (0.45) ROCK1ROCK2KMT2AALDH1A1MAPT
SCHEMBL351753 0.81 ROCK1 (0.45) ROCK1ROCK2KMT2AALDH1A1MAPT
SCHEMBL3511157 0.81 ROCK1 (0.48) ROCK1ROCK2KMT2AALDH1A1NAMPT
SCHEMBL3508896 0.81 ROCK1 (0.45) ROCK1ROCK2ALDH1A1MAPK1CSNK1D
SCHEMBL3511581 0.80 ROCK1 (0.50) ROCK1ROCK2NAMPTMAPK1CSNK1D

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 ROCK1 4658/4885ROCK2 4700/4885KMT2A 3295/4885

“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.