SCHEMBL23201199

SCHEMBL23201199

CC(NC(=O)C(NC(=O)OC(C)(C)C)C1Cc2ccccc2C1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
ATM Q13315 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
CXCR3 P49682 1/20 0.40
REN P00797 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
SCN9A Q15858 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL30882362 1.00 AAK1 (0.43) AAK1ATMKMT2ACTSSCTSK
SCHEMBL23201197 1.00 AAK1 (0.43) AAK1ATMKMT2ACTSSCTSK
SCHEMBL5389519 0.87 EPHX2 (0.44) AAK1ATMCTSSCTSKCXCR3
SCHEMBL4816579 0.87 EPHX2 (0.44) AAK1ATMCTSSCTSKCXCR3
SCHEMBL29911641 0.87 EPHX2 (0.44) AAK1ATMCTSSCTSKCXCR3
SCHEMBL1598690 0.87 EPHX2 (0.44) AAK1ATMCTSSCTSKCXCR3
SCHEMBL30387713 0.86 SYK (0.48) CTSSCTSLPPARA
SCHEMBL25054153 0.86 SYK (0.48) CTSSCTSLPPARA
SCHEMBL10118949 0.81 SDCBP (0.42) KMT2ASDCBPSDC2
SCHEMBL6683090 0.80 PSEN1 (0.47) AAK1CTSSCTSKRENCTSL

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
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN disclosed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP disclosed