SCHEMBL6462705

SCHEMBL6462705

COc1ccc(S(=O)(=O)N(CCOCCN(C(N)=O)S(=O)(=O)c2ccc(OC)cc2)C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 7/20 0.48
NFE2L2 Q16236 5/20 0.48
TAS2R14 Q9NYV8 6/20 0.48
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
PTGES O14684 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.45
MEP1B Q16820 1/20 0.45
CXCR3 P49682 1/20 0.45
BMP1 P13497 1/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL6467324 0.91 KEAP1 (0.52) KEAP1NFE2L2TAS2R14MMP1MMP7
SCHEMBL6470238 0.85 ALDH1A1 (0.45) KEAP1NFE2L2TAS2R14
SCHEMBL6465700 0.74 KEAP1 (0.50) KEAP1NFE2L2TAS2R14MMP1MMP8
SCHEMBL6470502 0.74 OPRK1 (0.42) KEAP1NFE2L2MMP1MMP7MMP8
SCHEMBL5931099 0.73 ALDH1A1 (0.51) KEAP1NFE2L2TAS2R14F2PRSS1
SCHEMBL493487 0.72 KEAP1 (0.52) KEAP1NFE2L2TAS2R14MEP1B
SCHEMBL6465065 0.71 TP53 (0.54) KEAP1NFE2L2F2
SCHEMBL28528003 0.70 F2 (0.56) MMP1MMP8MMP13F2PRSS1
SCHEMBL8620628 0.69 TP53 (0.55) KEAP1NFE2L2TAS2R14F2
SCHEMBL17230532 0.69 BMP1 (0.55) KEAP1TAS2R14MMP1MMP7MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050255998-A1 Mixture of colour developers CIBA SPECIALTY CHEMICALS CORP. 2005-11-17 US disclosed
US-20050106491-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2005-05-19 US disclosed
EP-1480836-A1 MIXTURE OF COLOUR DEVELOPERS Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
WO-2003074284-A1 MIXTURE OF COLOUR DEVELOPERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
EP-0792755-B1 Thermosensitive recording material OJI PAPER CO (JP) 1998-11-11 EP disclosed
EP-0792755-A1 Thermosensitive recording material OJI PAPER COMPANY LIMITED (JP) 1997-09-03 EP disclosed
US-5612280-A AROMATIC SULFONYLUREA AND SULFONYLTHIOUREA DERIVATIVES AS COLOR DEVELOPERS; COLORFASTNESS, STORAGE STABILITY, WHITENESS NEW OJI PAPER CO., LTD. (JP) 1997-03-18 US disclosed
EP-0604832-A2 Thermosensitive recording material NEW OJI PAPER CO., LTD. (JP) 1994-07-06 EP disclosed