SCHEMBL354451

SCHEMBL354451

COCC(=O)N(C)Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ROCK1 Q13464 12/20 0.44
ROCK2 O75116 10/20 0.44
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
AURKA O14965 1/20 0.40
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MARK3 P27448 1/20 0.40
AKT1 P31749 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PRKX P51817 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
SCHEMBL354506 0.92 MAPK1 (0.45) TSHRROCK1ROCK2MAPK1SMN1; SMN2
SCHEMBL4726467 0.86 ROCK1 (0.47) TSHRROCK1ROCK2MAPK1AURKA
SCHEMBL4728299 0.85 ROCK1 (0.44) TSHRROCK1ROCK2MAPK1LMNA
SCHEMBL354926 0.85 TRPV1 (0.45) ROCK1ROCK2SMN1; SMN2LMNATRPV1
SCHEMBL351562 0.84 ROCK1 (0.55) ROCK1ROCK2MAPK1AKT1GSK3B
SCHEMBL4726379 0.84 TSHR (0.51) TSHRROCK1ROCK2MAPK1SMN1; SMN2
SCHEMBL4957984 0.84 ENPP2 (0.46) TSHRROCK1ROCK2MAPK1LMNA
SCHEMBL353925 0.84 ROCK1 (0.49) TSHRROCK1ROCK2LMNACSNK1D
SCHEMBL368148 0.84 ROCK1 (0.38) ROCK1ROCK2MAPK1LMNAAURKA
Hydrochloric Acid SCHEMBL4845630 0.83 ENPP2 (0.46) TSHRROCK1ROCK2MAPK1LMNA

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 TSHR 2748/4885ROCK1 4747/4885ROCK2 4626/4885

“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.