SCHEMBL4594432

SCHEMBL4594432

CC(C)(C)c1cc2ccccc2c(S(=O)(=O)[O-])c1C(C)(C)C.[Na+]

nearest known ligand 0.54

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
TUBB4A known ✓ P04350 1/20 0.32
TUBB known ✓ P07437 1/20 0.32
TUBA3C known ✓ P0DPH7 1/20 0.32
TUBA1B known ✓ P68363 1/20 0.32
TUBA4A known ✓ P68366 1/20 0.32
TUBB4B known ✓ P68371 1/20 0.32
TUBB3 known ✓ Q13509 1/20 0.32
TUBB2A known ✓ Q13885 1/20 0.32
TUBB8 known ✓ Q3ZCM7 1/20 0.32
TUBA3E known ✓ Q6PEY2 1/20 0.32
TUBA1A known ✓ Q71U36 1/20 0.32
TUBA1C known ✓ Q9BQE3 1/20 0.32
TUBB6 known ✓ Q9BUF5 1/20 0.32
TUBB2B known ✓ Q9BVA1 1/20 0.32
TUBB1 known ✓ Q9H4B7 1/20 0.32
THRB known ✓ P10828 1/20 0.31
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
NR1I2 O75469 1/20 0.54
ENTPD1 P49961 1/20 0.35

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
SCHEMBL16633014 0.88 NR1I2 (0.56) NR1I2ENTPD1ENTPD2ALDH1A1CYP2D6
SCHEMBL29996901 0.83 CYP2D6 (0.47) NR1I2ALDH1A1CYP2D6HPGDCYP1A2
SCHEMBL4000559 0.83 CYP2D6 (0.47) NR1I2ALDH1A1CYP2D6HPGDCYP1A2
SCHEMBL5552151 0.82 CYP2D6 (0.46) NR1I2ALDH1A1CYP2D6HPGDCYP1A2
SCHEMBL11661643 0.80 NR1I2 (0.43) NR1I2ENTPD1ENTPD2ALDH1A1CYP2D6
SCHEMBL7756721 0.80 NR1I2 (0.66) NR1I2ALDH1A1HSD17B2CA1CA2
SCHEMBL2842392 0.78 NR1I2 (0.35) NR1I2ALDH1A1CYP2D6HPGDTUBB4A
SCHEMBL8157496 0.76 CYP3A4 (0.45) NR1I2ENTPD1ENTPD2ALDH1A1CYP2D6
SCHEMBL29908011 0.76 NR1I2 (0.39) NR1I2ALDH1A1HPGDHSD17B2THRB
SCHEMBL2842391 0.76 NR1I2 (0.39) NR1I2ALDH1A1HPGDHSD17B2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624485-A Microgel acrylic emulsion and preparation method and application thereof 广东恒和永盛集团有限公司 2024-03-01 CN claimed
CN-117624485-A Microgel acrylic emulsion and preparation method and application thereof 广东恒和永盛集团有限公司 2024-03-01 CN disclosed
EP-2762977-B1 METHOD FOR RECYCLING PLATE-MAKING PROCESSING WASTE SOLUTION FUJIFILM CORP (JP) 2017-09-27 EP disclosed
US-9441069-B2 Epoxy resin, method for producing epoxy resin, epoxy resin composition, cured product thereof, and heat-dissipating resin material DIC CORPORATION (JP) 2016-09-13 US disclosed
EP-1928232-B1 SOLID FORMULATION BAYER IP GMBH (DE) 2016-07-13 EP disclosed
EP-2869122-A1 METHOD FOR CONCENTRATING PROCESSING WASTE LIQUID AND METHOD FOR RECYCLING PROCESSING WASTE LIQUID Fujifilm Corporation (JP) 2015-05-06 EP disclosed
US-20150104746-A1 METHOD OF CONCENTRATING WASTE LIQUID PRODUCED BY DEVELOPMENT, AND METHOD OF RECYCLING WASTE LIQUID PRODUCED BY DEVELOPMENT FUJIFILM CORPORATION (JP) 2015-04-16 US disclosed
US-20150104651-A1 EPOXY RESIN, METHOD FOR PRODUCING EXPOXY RESIN, EPOXY RESIN COMPOSITION, CURED PRODUCT THEREOF, AND HEAT-DISSIPATING RESIN MATERIAL DIC CORPORATION (JP) 2015-04-16 US disclosed
US-20140234778-A1 METHOD FOR RECYCLING PLATE-MAKING PROCESSING WASTE SOLUTION FUJIFILM CORPORATION (JP) 2014-08-21 US disclosed
EP-2762977-A1 METHOD FOR RECYCLING PLATE-MAKING PROCESSING WASTE SOLUTION FUJIFILM Corporation (JP) 2014-08-06 EP disclosed
US-8198214-B2 Solid formulation BAYER CROPSCIENCE AG (DE) 2012-06-12 US disclosed
EP-1928232-A1 SOLID FORMULATION BAYER CROPSCIENCE AG (DE) 2008-06-11 EP disclosed
WO-2007033759-A1 SOLID FORMULATION BAYER CROPSCIENCE AG (DE) 2007-03-29 WO disclosed
US-20070066487-A1 Solid formulation BAYER CROPSCIENCE GMBH (DE) 2007-03-22 US disclosed
US-4105453-A BASIC MORDANT, ACIDIC DYE, HYDROPHILIC COLLOID CONTAINING A PHENOXY(POLY)ETHOXY SULFATE OR SULFONATE, NAPHTHALENE SULFONATE LAYER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1978-08-08 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-20070066487-A1 Solid formulation SMS, SRM, STS TUBB4A 3269/4885TUBB 2151/4885TUBA3C 1816/4885

“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.