SCHEMBL4058070

SCHEMBL4058070

CC(C)(C)c1ccc(COc2ccc(/C=C3\SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
ALOX5 P09917 3/20 0.40
HPGD P15428 6/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AR P10275 1/20 0.38
PTPN11 Q06124 1/20 0.37
APP P05067 1/20 0.36
NR4A2 P43354 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
POLB P06746 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL4058075 1.00 PTPN1 (0.45) PTPN1ALOX5HPGDALDH1A1MAPT
SCHEMBL4050515 0.91 HPGD (0.48) PTPN1ALOX5HPGDARPOLB
SCHEMBL4050517 0.91 HPGD (0.48) PTPN1ALOX5HPGDARPOLB
SCHEMBL4054941 0.91 HPGD (0.48) PTPN1ALOX5HPGDALDH1A1MAPT
SCHEMBL4054943 0.91 HPGD (0.48) PTPN1ALOX5HPGDALDH1A1MAPT
SCHEMBL4052876 0.91 PTPN1 (0.49) PTPN1ALOX5HPGDARPOLB
SCHEMBL4052873 0.91 PTPN1 (0.49) PTPN1ALOX5HPGDARPOLB
SCHEMBL4052918 0.90 ALOX5 (0.52) PTPN1ALOX5HPGDALDH1A1AR
SCHEMBL4052922 0.90 ALOX5 (0.52) PTPN1ALOX5HPGDALDH1A1AR
SCHEMBL4054032 0.90 ALOX5 (0.46) PTPN1ALOX5HPGDARPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO claimed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed