SCHEMBL25034892

SCHEMBL25034892

C=Nc1cccc(-c2sc(C(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)c2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.35
ACLY P53396 3/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM6 O15303 1/20 0.31
LHCGR P22888 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL30274041 0.86 PTPN1 (0.46) PTPN1ACLYMAPTLMNAPOLB
SCHEMBL25036613 0.86 PTPN1 (0.36) PTPN1ACLYMAPTLMNAPOLB
SCHEMBL30273615 0.85 PTPN1 (0.47) PTPN1ACLYMAPTLMNAPOLB
SCHEMBL25034776 0.85 PTPN1 (0.47) PTPN1ACLYMAPTLMNAPOLB
SCHEMBL30274194 0.80 PTPN1 (0.45) PTPN1ACLYMAPTLMNAPOLB
SCHEMBL25036186 0.80 PTPN1 (0.45) PTPN1ACLYMAPTLMNAPOLB
SCHEMBL30274011 0.79 PTPN1 (0.43) PTPN1MAPTLMNAHPGDNPSR1
SCHEMBL25034837 0.79 PTPN1 (0.54) PTPN1
SCHEMBL25036178 0.78 PTPN1 (0.44) PTPN1MAPTLMNAHPGDNPSR1
SCHEMBL30273918 0.78 PTPN1 (0.44) PTPN1MAPTLMNAHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed