SCHEMBL7475586

SCHEMBL7475586

CN(Cc1ccccc1)S(=O)(=O)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.60
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
RORC P51449 1/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL7478269 0.86 MMP3 (0.57) MMP3NPC1RAB9ACA12CA9
SCHEMBL14452195 0.85 MMP3 (0.56) MMP3NPC1RAB9ACA12CA9
SCHEMBL15672917 0.81 ALDH1A1 (0.52) MMP3NPC1RAB9ACA12CA9
SCHEMBL12305028 0.81 ALDH1A1 (0.52) MMP3NPC1RAB9ACA12CA9
SCHEMBL14452158 0.80 HSD11B1 (0.56) MMP3NPC1RAB9AALDH1A1POLB
SCHEMBL14452142 0.79 HSD11B1 (0.55) MMP3POLBKMT2A
SCHEMBL7282283 0.79 MMP3 (0.50) MMP3NPC1RAB9ACA12CA9
SCHEMBL7282278 0.79 MMP3 (0.50) MMP3NPC1RAB9ACA12CA9
SCHEMBL25566168 0.79 MMP3 (0.49) MMP3NPC1RAB9ACA12CA9
SCHEMBL7310016 0.78 MMP3 (0.55) MMP3POLBTSHR

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
CN-104003913-B The preparation method of E-3,4-dihydroxyphenyl vinylic sulfonamides and sulfonates compounds and the application as neuroprotective thereof PEKING UNIVERSITY (CN) 2015-10-07 CN disclosed
EP-0975594-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES PFIZER LTD (GB) 2002-09-18 EP disclosed
US-6281357-B1 HEADACHE THERAPY PFIZER INC 2001-08-28 US disclosed
EP-0975594-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES Pfizer Limited (GB) 2000-02-02 EP disclosed
WO-1999002493-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES PFIZER LIMITED (GB) 1999-01-21 WO disclosed