SCHEMBL214579

SCHEMBL214579

Cc1cc(OCc2ccc(C(=O)[O-])cc2C)c(N(CC(C)C)S(=O)(=O)c2nccs2)cc1C.[Na+]

nearest known ligand 0.71

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 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
EP300 Q09472 1/20 0.35
TP53 P04637 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL215320 0.92 MCL1 (0.36) RORCEP300TP53MCL1
SCHEMBL214578 0.92 MCL1 (0.35) RORCEP300TP53MCL1
Potassium Ion SCHEMBL214117 0.88 RORC (0.41) RORCEP300TP53
SCHEMBL214606 0.84 RECQL (0.38) EP300
SCHEMBL214605 0.84 RECQL (0.38) EP300
SCHEMBL213113 0.83 NR1H4 (0.43) RORCEP300MCL1
Ono-8539 SCHEMBL214853 0.83 MCL1 (0.33) EP300MCL1
Ono-8539 SCHEMBL29572731 0.83 MCL1 (0.33) EP300MCL1
SCHEMBL214116 0.83 NR1H4 (0.43) RORCEP300MCL1
SCHEMBL215488 0.82 PSEN1 (0.34) RORCPSEN1PSEN2APH1BNCSTN

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 RORC 2228/4885EP300 408/4885TP53 2977/4885
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 RORC 2534/4885EP300 600/4885TP53 2897/4885
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 RORC 2507/4885EP300 437/4885TP53 2458/4885
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient PTGER1, PTGER2, PTGS1 RORC 1104/4885EP300 742/4885TP53 4363/4885

“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.