SCHEMBL8052935

SCHEMBL8052935

C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nccs1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
GLS O94925 1/20 0.44
KMT2A Q03164 2/20 0.43
GPR88 Q9GZN0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
METAP1 P53582 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 3/20 0.39
HCRTR2 O43614 1/20 0.38
ATM Q13315 1/20 0.38
BACE1 P56817 1/20 0.38
CTSL P07711 1/20 0.37
BUB1 O43683 1/20 0.37

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
SCHEMBL8053475 1.00 CTSK (0.44) CTSKGLSKMT2AGPR88KDM4E
SCHEMBL8052672 0.88 CTSK (0.52) CTSKGLSGPR88KDM4ECTSS
SCHEMBL8059076 0.87 CTSK (0.43) CTSKGPR88METAP1L3MBTL1CTSS
SCHEMBL8059074 0.87 CTSK (0.43) CTSKGPR88METAP1L3MBTL1CTSS
SCHEMBL8052778 0.86 CTSK (0.45) CTSKGPR88CTSSCTSL
SCHEMBL8052712 0.86 CTSK (0.45) CTSKGPR88CTSSCTSL
SCHEMBL1585659 0.84 L3MBTL1 (0.47) CTSKKDM4EMETAP1L3MBTL1
SCHEMBL8052740 0.80 MEN1 (0.42) CTSKKMT2AGPR88KDM4E
SCHEMBL8053649 0.80 MEN1 (0.42) CTSKKMT2AGPR88KDM4E
SCHEMBL8041384 0.79 L3MBTL1 (0.43) CTSKKMT2AMETAP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669336-B1 NOVEL CEPHEM DERIVATIVES MEIJI SEIKA CO (JP) 2000-05-17 EP disclosed
US-5663162-A BACTERICIDES AND ANTIBIOTICS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
EP-0669336-A1 NOVEL CEPHEM DERIVATIVE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-08-30 EP disclosed