SCHEMBL4953626

SCHEMBL4953626

CC1(S(=O)(=O)c2cccc(NS(C)(=O)=O)c2Oc2ccccc2)CS1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.42
▸ PTGS1 P23219 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MLNR O43193 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL4953617 0.74 MMP2 (0.52) PGRMMP1NR3C1
SCHEMBL4294130 0.69 LMNA (0.50) PGRKMT2ALMNAMMP1SMN1; SMN2
SCHEMBL8719438 0.67 PTGS2 (0.68) PGRPTGS1PTGS2KMT2AKDM4E
SCHEMBL315717 0.67 PGR (0.55) PGRLMNAHPGDMMP1MAPT
SCHEMBL30659708 0.64 KEAP1 (0.55) PGRPTGS1PTGS2KMT2ATSHR
SCHEMBL8026971 0.62 HTR6 (0.68) PGRKMT2ATSHRSMN1; SMN2NR3C1
SCHEMBL7063318 0.62 TSHR (0.54) PGRKMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL29904739 0.62 KEAP1 (0.65) PGRPTGS1PTGS2KMT2AKDM4E
SCHEMBL2068498 0.62 KEAP1 (0.65) PGRPTGS1PTGS2KMT2AKDM4E
SCHEMBL1127421 0.62 CA2 (0.62) KEAP1L3MBTL1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986657-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR Discogen, LLC (US) 2008-11-05 — — EP disclosed
WO-2007098099-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR DISCOGEN, LLC (US) 2007-08-30 — — WO disclosed
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