SCHEMBL7208174

SCHEMBL7208174

Cc1[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc2c1CC(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.47
PPARG P37231 1/20 0.43
PTPN5 P54829 1/20 0.41
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
SELE P16581 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EGFR P00533 2/20 0.39
SRC P12931 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.38
HTR1F P30939 1/20 0.38

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
SCHEMBL7207808 0.89 HTR1F (0.42) PTPN5KDM4EMEN1KMT2AALDH1A1
SCHEMBL7213100 0.82 KDM4E (0.57) KDM4EMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL7213112 0.82 ANO1 (0.47) KDM4EMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL7213103 0.76 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL7214330 0.72 KDM4E (0.56) PPARGKDM4EMEN1KMT2ACYP2C9
SCHEMBL6000250 0.72 PPARA (0.44) PPARAPPARGKDM4EKMT2AALDH1A1
SCHEMBL7208144 0.69 KDM4E (0.41) PPARGKDM4EMEN1KMT2ACYP2C9
SCHEMBL7696769 0.68 AKR1C2 (0.67) KDM4EMEN1KMT2ACYP2C9CYP2C19
SCHEMBL7279576 0.68 MAPK1 (0.62) PPARAPPARGKMT2AALDH1A1GAA
SCHEMBL8587020 0.67 AKR1C2 (0.61) PTPN5KDM4EMEN1KMT2ACYP2C9

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
JP-2003508382-A 2003-03-04 JP claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP claimed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO claimed