SCHEMBL25036712

SCHEMBL25036712

CCC(=O)c1sc(-c2cccc(N)c2)c(Cl)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.45
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
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 0.32
ESR1 P03372 1/20 0.31
ESRRG P62508 1/20 0.31
ESR2 Q92731 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL30273615 0.90 PTPN1 (0.47) PTPN1ALOX5APFEN1ACLYMAPT
SCHEMBL25034776 0.90 PTPN1 (0.47) PTPN1ALOX5APFEN1ACLYMAPT
SCHEMBL30274194 0.88 PTPN1 (0.45) PTPN1ALOX5APFEN1ACLYMAPT
SCHEMBL25036186 0.88 PTPN1 (0.45) PTPN1ALOX5APFEN1ACLYMAPT
SCHEMBL30273913 0.85 PTPN1 (0.44) PTPN1MAPTLMNAHPGDNPSR1
SCHEMBL30273918 0.85 PTPN1 (0.44) PTPN1MAPTLMNAHPGDNPSR1
SCHEMBL25036178 0.85 PTPN1 (0.44) PTPN1MAPTLMNAHPGDNPSR1
SCHEMBL25036303 0.80 PTPN1 (0.45) PTPN1MAPTHPGDGRM6ESR1
SCHEMBL25036333 0.80 PTPN1 (0.48) PTPN1ALOX5APFEN1MAPTLMNA
SCHEMBL25036613 0.79 PTPN1 (0.36) PTPN1ACLYMAPTLMNAPOLB

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