SCHEMBL4041031

SCHEMBL4041031

CC(C)(C)OC(=O)CCCN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.65
ROCK1 Q13464 4/20 0.44
ROCK2 O75116 3/20 0.44
PTPRB P23467 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL2427869 0.90 CASR (0.72) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL2430604 0.89 CASR (0.71) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL2431716 0.87 CASR (0.75) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL3637807 0.86 CASR (0.75) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL2432716 0.85 CASR (0.72) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL2429918 0.83 CASR (0.58) CASRPTPRB
SCHEMBL2429919 0.83 CASR (0.58) CASRPTPRB
SCHEMBL3676007 0.83 CASR (0.65) CASRROCK1ROCK2PTPRB
SCHEMBL2520610 0.83 CASR (0.61) CASRROCK1ROCK2PTPRBMEN1
SCHEMBL3642826 0.82 CASR (0.68) CASRROCK1ROCK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885ROCK1 2381/4885ROCK2 3901/4885

“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.