SCHEMBL2016534

SCHEMBL2016534

O=S(=O)([O-])C1CC2C=CC1C2.[Na+]

nearest known ligand 0.37

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 6)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.31
KDM4E B2RXH2 4/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9317589 0.79 KDM4E (0.38) KDM4ELMNATHRBEPHX2PKM
SCHEMBL2458229 0.76 KDM4E (0.35) KDM4ELMNATHRBEPHX2PKM
SCHEMBL21215002 0.76 KDM4E (0.35) KDM4ELMNAEPHX2PKMALDH1A1
SCHEMBL4545263 0.76 KDM4E (0.39) KDM4ELMNATHRBEPHX2PKM
SCHEMBL2014878 0.76 KDM4E (0.35) KDM4ELMNAEPHX2PKMALDH1A1
SCHEMBL2016537 0.74 KDM4E (0.38) KDM4ELMNATHRBEPHX2PKM
SCHEMBL10526491 0.71 KDM4E (0.32) KDM4ELMNA
SCHEMBL18609464 0.70 KDM4E (0.37) KDM4ELMNAEPHX2ALDH1A1
SCHEMBL20364993 0.70 KDM4E (0.42) KDM4ELMNAALDH1A1
SCHEMBL21594539 0.68 KDM4E (0.36) KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9170487-B2 Resist composition, method of forming resist pattern, and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2015-10-27 US disclosed
US-9152042-B2 Acrylic ester derivative, high-molecular compound and photoresist composition KURARAY CO., LTD. (JP) 2015-10-06 US disclosed
US-20130260312-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2013-10-03 US disclosed
US-20130230802-A1 ACRYLAMIDE DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2013-09-05 US disclosed
US-20130164675-A1 ACRYLIC ESTER DERIVATIVE, HIGH-MOLECULAR COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2013-06-27 US disclosed
US-8367849-B2 Production method for sultone derivatives KURARAY CO., LTD. (JP) 2013-02-05 US disclosed
US-20110160465-A1 PRODUCTION METHOD FOR SULTONE DERIVATIVES KURARAY CO., LTD (JP) 2011-06-30 US 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-20110160465-A1 PRODUCTION METHOD FOR SULTONE DERIVATIVES SULT1E1, SULT2A1, SULT1A1 THRB 2137/4885KDM4E 1041/4885LMNA 4818/4885

“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.