SCHEMBL8638215

SCHEMBL8638215

O=S(=O)([O-])c1ccc2c(c1)CSC2.[Na+]

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.36
CA2 known ✓ P00918 4/20 0.36
CA12 known ✓ O43570 3/20 0.36
DUSP5 Q16690 1/20 0.46
DUSP6 Q16828 1/20 0.46
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 1/20 0.39
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CASP6 P55212 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
PKLR P30613 2/20 0.33
PTPN1 P18031 2/20 0.33
FTO Q9C0B1 1/20 0.33
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL8903342 0.83 LMNA (0.40) DUSP5DUSP6LMNATDP1CASP6
SCHEMBL2880485 0.80 CA1 (0.53) DUSP5DUSP6LMNATDP1CA1
SCHEMBL10700297 0.80 CA2 (0.58) LMNACA1CA2CA12CA7
SCHEMBL28623672 0.77 DUSP5 (0.61) DUSP5DUSP6LMNATDP1PARP1
SCHEMBL9786187 0.75 DUSP5 (0.59) DUSP5DUSP6LMNATDP1PARP1
SCHEMBL7909284 0.73 CA12 (0.66) DUSP5DUSP6LMNATDP1CA1
SCHEMBL6945232 0.73 CA12 (0.60) DUSP5DUSP6LMNATDP1CA1
SCHEMBL29750282 0.72 PNMT (0.50) DUSP5DUSP6LMNATDP1PARP1
Potassium Ion SCHEMBL2956793 0.71 KMT2A (0.58) DUSP5DUSP6LMNATDP1PARP1
SCHEMBL11701446 0.67 LMNA (0.53) DUSP5DUSP6LMNATDP1PARP1

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-11136432-B2 Method for producing polyisothianaphthene-based electroconductive polymer SHOWA DENKO K.K. (JP) 2021-10-05 US disclosed
US-20190345287-A1 METHOD FOR PRODUCING POLYISOTHIANAPHTHENE-BASED ELECTROCONDUCTIVE POLYMER SHOWA DENKO K.K. (JP) 2019-11-14 US disclosed
US-20190337919-A1 FUSED HETEROPOLYCYCLIC COMPOUND, AND METHOD FOR PRODUCING CONDUCTIVE POLYMER IN WHICH SAID COMPOUND IS USED SHOWA DENKO K.K. (JP) 2019-11-07 US disclosed
EP-3564290-A1 METHOD FOR PRODUCING POLYISOTHIANAPHTHENE ELECTROCONDUCTIVE POLYMER Showa Denko K.K. (JP) 2019-11-06 EP disclosed
EP-3564229-A1 FUSED HETEROPOLYCYCLIC COMPOUND, AND METHOD FOR PRODUCING CONDUCTIVE POLYMER IN WHICH SAID COMPOUND IS USED Showa Denko K.K. (JP) 2019-11-06 EP disclosed
EP-0652920-B1 ANTISTATIC AGENT AND METHOD FOR SUPPRESSING ELECTRIFICATION SHOWA DENKO KK (JP) 1998-08-19 EP disclosed
US-5783251-A Method for suppressing electrification and for observing or inspecting an article SHOWA DENKO K.K. (JP) 1998-07-21 US disclosed
US-5688873-A POLYISOBENZOTHIOPHENE, POLYISOBENZOFURAN, POLYISOINDOLE AND RELATED POLYMERS, AROMATIC RESINS, SULFONATE GROUP, WATER SOLUBILITY SHOWA DENKO K.K. (JP) 1997-11-18 US disclosed
US-5648453-A Electroconductive polymer and process for producing the polymer SHOWA DENKO K.K. (JP) 1997-07-15 US disclosed
US-5530139-A BENZO- AND NAPHTHOTHIOPHENE COMPOUNDS; INTERMEDIATES IN AGRICULTURE, FOODS AND MEDICINE, MONOMER FOR ELECTROCONDUCTIVE POLYMER SHOWA DENKO KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
EP-0652920-A1 ANTISTATIC AGENT AND METHOD FOR SUPPRESSING ELECTRIFICATION SHOWA DENKO KABUSHIKI KAISHA (JP) 1995-05-17 EP disclosed
WO-1994028083-A1 ANTISTATIC AGENT AND METHOD FOR SUPPRESSING ELECTRIFICATION SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-12-08 WO 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 (1 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-20190337919-A1 FUSED HETEROPOLYCYCLIC COMPOUND, AND METHOD FOR PRODUCING CONDUCTIVE POLYMER IN WHICH SAID COMPOUND IS USED SCO2, SQOR, GJB2 CA1 1803/4885CA2 1750/4885CA12 2076/4885

“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.