SCHEMBL215831

SCHEMBL215831

Cc1ccc(S(=O)(=O)N(CC(C)C)c2cc3c(cc2OCc2ccc(C=CC(=O)[O-])cc2)CCC3)o1.[Na+]

nearest known ligand 0.87

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RORC P51449 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KEAP1 Q14145 4/20 0.32
NFE2L2 Q16236 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL213554 0.93 KDM4E (0.38) LMNAALDH1A1HPGDHTT
SCHEMBL213555 0.93 KDM4E (0.38) LMNAALDH1A1HPGDHTT
SCHEMBL215830 0.92 KDM4E (0.37) LMNAALDH1A1HPGDHTT
SCHEMBL215832 0.92 KDM4E (0.37) LMNAALDH1A1HPGDHTT
SCHEMBL215833 0.92 KDM4E (0.37) LMNAALDH1A1HPGDHTT
SCHEMBL213850 0.85 RXRB (0.45)
SCHEMBL213664 0.84 RXRB (0.44)
SCHEMBL214987 0.84 KDM4E (0.41) LMNA
SCHEMBL214988 0.84 KDM4E (0.41) LMNA
SCHEMBL213950 0.84 RECQL (0.37) LMNAALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088802-B2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
EP-1612208-B1 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO (JP) 2011-08-31 EP disclosed
US-20100041708-A1 N-PHENYLARYLSULFONAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND AS ACTIVE INGREDIENT, SYNTHETIC INTERMEDIATE FOR THE COMPOUND AND PROCESS FOR IT'S PREPARATION ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-7629369-B2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICALS CO., LTD. (JP) 2009-12-08 US disclosed
US-7335776-B2 Remedies for depression containing EP1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 US disclosed
US-7235667-B2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-26 US disclosed
US-20060030713-A1 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. 2006-02-09 US disclosed
EP-1612208-A2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
US-20050124672-A1 N-phenylarylsulfonamide compound drug containing the compound as active ingredient intermediate for the compound and processes for producing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-09 US disclosed
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1369419-A1 N-PHENYLARYLSULFONAMIDE COMPOUND, DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT, INTERMEDIATE FOR THE COMPOUND, AND PROCESSES FOR PRODUCING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed
EP-1369129-A1 REMEDIES FOR DEPRESSION CONTAINING EP1 ANTAGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060030713-A1 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation PTGER1, PTGER2, PTGES MAOA 3308/4885MAOB 3610/4885MAPT 4330/4885
US-20100041708-A1 N-PHENYLARYLSULFONAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND AS ACTIVE INGREDIENT, SYNTHETIC INTERMEDIATE FOR THE COMPOUND AND PROCESS FOR IT'S PREPARATION PTGER1, PTGER2, PTGES MAOA 3152/4885MAOB 3373/4885MAPT 4421/4885
US-20050124672-A1 N-phenylarylsulfonamide compound drug containing the compound as active ingredient intermediate for the compound and processes for producing the same PTGER1, PTGER2, PTGES MAOA 2986/4885MAOB 3481/4885MAPT 4428/4885
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient PTGER1, PTGER2, PTGS1 MAOA 252/4885MAOB 348/4885MAPT 808/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.