SCHEMBL5322006

SCHEMBL5322006

Cc1cc(S(=O)(=O)Nc2ccc(SCc3ccc(C(F)(F)F)cc3)nc2)cc(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
IDH1 O75874 2/20 0.38
BRD4 O60885 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM1A O60341 1/20 0.38
CXCR2 P25025 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 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
SCHEMBL5321346 0.92 PTPN5 (0.45) HDAC3HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL14434874 0.91 CXCR2 (0.46) PTGDR2ALDH1A1CXCR2MAPT
SCHEMBL5342566 0.90 POLB (0.47) PTGDR2IDH1BRD4HDAC3HDAC4
SCHEMBL14434072 0.90 ALDH1A1 (0.47) ALDH1A1CXCR2MAPTMCL1KDM4E
SCHEMBL14434879 0.90 L3MBTL1 (0.43) ALDH1A1CXCR2MAPTMCL1KDM4E
SCHEMBL14434071 0.88 HTT (0.44) PTGDR2IDH1ALDH1A1CXCR2MAPT
SCHEMBL14434876 0.87 CASP6 (0.41) ALDH1A1CXCR2MAPTMCL1KDM4E
SCHEMBL5320272 0.85 CXCR2 (0.49) PTGDR2ALDH1A1CXCR2
SCHEMBL14434869 0.84 KMT2A (0.42) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14435089 0.83 MEN1 (0.42) PTGDR2IDH1BRD4HDAC3HDAC4

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
WO-2007091140-A1 SUBSTITUTED PHENYLSULFAMOYL COMPOUNDS AS PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2007-08-16 WO claimed
WO-2007091140-A1 SUBSTITUTED PHENYLSULFAMOYL COMPOUNDS AS PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
WO-2007091140-A1 SUBSTITUTED PHENYLSULFAMOYL COMPOUNDS AS PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed