SCHEMBL14434874

SCHEMBL14434874

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.46
CXCR1 P25024 3/20 0.43
METAP2 P50579 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
POLB P06746 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL14434879 0.93 L3MBTL1 (0.43) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL14434072 0.93 ALDH1A1 (0.47) CXCR2METAP2ALDH1A1LMNAMAPT
SCHEMBL14434071 0.92 HTT (0.44) CXCR2METAP2ALDH1A1LMNAMAPT
SCHEMBL5322006 0.91 PTGDR2 (0.40) CXCR2ALDH1A1MAPTPTGDR2
SCHEMBL14434876 0.91 CASP6 (0.41) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5321346 0.90 PTPN5 (0.45) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL14435097 0.90 POLB (0.50) CXCR2CXCR1METAP2ALDH1A1LMNA
SCHEMBL14434883 0.88 CXCR2 (0.43) CXCR2CXCR1METAP2ALDH1A1MAPT
SCHEMBL5320272 0.88 CXCR2 (0.49) CXCR2ALDH1A1LMNAHTTPTGDR2
SCHEMBL14434886 0.87 CXCR2 (0.40) CXCR2ALDH1A1MAPTPOLB

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