SCHEMBL4363734

SCHEMBL4363734

S=C([S-])NCCCNC(=S)[S-].[Na+].[Na+]

nearest known ligand 0.77

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
THRB known ✓ P10828 2/20 0.77
CA1 known ✓ P00915 17/20 0.75
CA2 known ✓ P00918 17/20 0.75
CA12 known ✓ O43570 13/20 0.68
CA4 known ✓ P22748 1/20 0.35
CA9 Q16790 13/20 0.68
ALDH1A1 P00352 1/20 0.67
CYP3A4 P08684 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
RECQL P46063 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
Potassium Ion SCHEMBL4362953 0.94 CA1 (0.75) THRBCA1CA2CA12CA9
SCHEMBL9019655 0.91 CA1 (0.81) THRBCA1CA2CA12CA9
SCHEMBL8830317 0.91 CA1 (0.81) THRBCA1CA2CA12CA9
SCHEMBL5308757 0.87 THRB (1.00) THRBCA1CA2CA12CA9
SCHEMBL137550 0.87 THRB (1.00) THRBCA1CA2CA12CA9
Water SCHEMBL28117119 0.84 THRB (0.93) THRBCA1CA2CA12CA9
SCHEMBL9067544 0.84 THRB (0.93) THRBCA1CA2CA12CA9
SCHEMBL665710 0.84
SCHEMBL10968142 0.83 MAPK1 (0.56) THRBCA1CA2CA12CA9
SCHEMBL11117831 0.80 THRB (0.87) THRBCA1CA2CA12CA9

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
EP-1930318-B1 Process for producing diphenyl sulfone compound NIPPON SODA CO (JP) 2017-03-08 EP disclosed
EP-1273570-B1 PROCESS FOR PRODUCING DIPHENYL SULFONE COMPOUND NIPPON SODA CO (JP) 2013-07-17 EP disclosed
US-7619120-B2 Processes for the preparation of diphenylsulfone compounds NIPPON SODA CO., LTD. (JP) 2009-11-17 US disclosed
EP-1930318-A2 Process for producing diphenyl sulfone compound Nippon Soda Co., Ltd. (JP) 2008-06-11 EP disclosed
US-20050065377-A1 Processes for the preparation of diphenylsulfone compounds NIPPON SODA CO., LTD 2005-03-24 US disclosed
US-6831201-B2 Aqueous solution containing dihydroxydiphenyl sulfone monoether compound is adjusted pH to a preset value, extracted with an organic solvent and separated to an organic and an aqueous layers, and that water or water adjusted to a fixed pH NIPPON SODA CO., LTD. (JP) 2004-12-14 US disclosed
US-20030092941-A1 Process for producing diphenyl sulfone compound NIPPON SODA CO., LTD. (JP) 2003-05-15 US disclosed
EP-1273570-A1 PROCESS FOR PRODUCING DIPHENYL SULFONE COMPOUND NIPPON SODA CO., LTD. (JP) 2003-01-08 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 (2 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-20030092941-A1 Process for producing diphenyl sulfone compound ASH2L, AP2S1, HACL2 THRB 3161/4885CA1 1213/4885CA2 201/4885
US-20050065377-A1 Processes for the preparation of diphenylsulfone compounds AP2S1, ASH2L, SRMS THRB 3040/4885CA1 2033/4885CA2 735/4885

“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.