SCHEMBL6559397

SCHEMBL6559397

COc1cc(C=O)ccc1S(=O)(=O)Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.62
ALDH1A1 P00352 10/20 0.59
TSHR P16473 1/20 0.59
HPGD P15428 6/20 0.54
AOX1 Q06278 1/20 0.54
TRIM24 O15164 1/20 0.54
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
FDPS P14324 1/20 0.51
TTR P02766 1/20 0.47
ALDH1A3 P47895 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL23201069 0.83 ALDH1A1 (0.59) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL3229664 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL6542213 0.79 ALDH1A1 (0.54) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL29482639 0.77 TRPV4 (0.68) TRPV4ALDH1A1L3MBTL1CYP1A2
SCHEMBL74997 0.77 TRPV4 (0.68) TRPV4ALDH1A1L3MBTL1CYP1A2
SCHEMBL2947794 0.77 TRPV4 (1.00) TRPV4ALDH1A1TSHRHPGDPOLB
SCHEMBL533956 0.77 TRPV4 (0.68) TRPV4ALDH1A1TSHRPOLBMEN1
SCHEMBL29420268 0.77 TRPV4 (1.00) TRPV4ALDH1A1TSHRHPGDPOLB
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.75 ALDH1A1 (1.00) ALDH1A1TSHRHPGDAOX1TRIM24
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.75 ALDH1A1 (1.00) ALDH1A1TSHRHPGDAOX1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202960-B1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI SYNTHELABO (FR) 2004-03-10 EP claimed
EP-1202960-B1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI SYNTHELABO (FR) 2004-03-10 EP disclosed
US-6548702-B1 Sulfonating m-hydroxybenzoic acid; methylation, salt formation, chlorination, reaction with t-butylamine SANOFI-SYNTHELABO (FR) 2003-04-15 US disclosed
EP-1202960-A1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI-SYNTHELABO (FR) 2002-05-08 EP disclosed
WO-2001005754-A1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI-SYNTHELABO (FR) 2001-01-25 WO disclosed