SCHEMBL353310

SCHEMBL353310

CCOC(=O)C(=O)c1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 0.59
ROCK2 O75116 13/20 0.59
ATG4B Q9Y4P1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL353441 0.89 ROCK2 (0.55) ROCK1ROCK2ATG4BL3MBTL1SMN1; SMN2
SCHEMBL353440 0.89 ROCK2 (0.55) ROCK1ROCK2ATG4BL3MBTL1SMN1; SMN2
SCHEMBL10466253 0.88 ROCK2 (0.55) ROCK1ROCK2L3MBTL1SMN1; SMN2MAPT
SCHEMBL10464664 0.85 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL353107 0.83 ROCK1 (0.68) ROCK1ROCK2ATG4BEPHX2
SCHEMBL368549 0.83 TSHR (0.52) ROCK1ROCK2L3MBTL1SMN1; SMN2MAPT
SCHEMBL4727779 0.82 MAPT (0.64) ROCK1ROCK2L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10237515 0.80 ROCK1 (0.67) ROCK1ROCK2ATG4BEPHX2
SCHEMBL10465403 0.79 MAPT (0.55) ROCK1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10465812 0.78 MAPT (0.66) ROCK1L3MBTL1SMN1; SMN2ALDH1A1MAPT

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 ROCK1 4747/4885ROCK2 4626/4885ATG4B 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.