SCHEMBL1462243

SCHEMBL1462243

O=S(=O)([O-])c1ccc(OCc2ccccc2)cc1.[Na+]

nearest known ligand 0.70

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
CA12 known ✓ O43570 2/20 0.70
CA1 known ✓ P00915 2/20 0.70
CA2 known ✓ P00918 2/20 0.70
CA4 known ✓ P22748 1/20 0.70
PTGS1 known ✓ P23219 1/20 0.56
PTGS2 known ✓ P35354 1/20 0.56
CA9 Q16790 2/20 0.70
CA5A P35218 1/20 0.70
CA7 P43166 1/20 0.70
CA5B Q9Y2D0 1/20 0.70
AR P10275 10/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL28531509 0.86 CA12 (0.57) CA12CA1CA2CA9CA4
SCHEMBL7108878 0.85 CA12 (0.74) CA12CA1CA2CA9CA4
Potassium Ion SCHEMBL4556071 0.85 CA12 (0.56) CA12CA1CA2CA9CA4
SCHEMBL9260073 0.84 CA12 (0.72) CA12CA1CA2CA9CA4
SCHEMBL28508086 0.84 CA12 (0.72) CA12CA1CA2CA9CA4
SCHEMBL6772305 0.83 CA12 (0.54) CA12CA1CA2CA9CA4
SCHEMBL6949459 0.83 CA12 (0.71) CA12CA1CA2CA9CA4
SCHEMBL11266317 0.82 CA12 (0.70) CA12CA1CA2CA9CA4
SCHEMBL8760665 0.82 CA12 (1.00) CA12CA1CA2CA9CA4
SCHEMBL926213 0.82 CA12 (0.70) CA12CA1CA2CA9CA4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4087369-A SURFACTANTS, BUILDERS, STORAGE STABILITY THE PROCTER & GAMBLE COMPANY (US) 1978-05-02 US claimed
US-12552783-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-17 US disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
CN-112218859-A Modulators of proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2021-01-12 CN disclosed
WO-2020150446-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-07-23 WO disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US disclosed
US-20110071334-A1 FOAMING DECONTAMINATING AQUEOUS SOLUTION COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-24 US disclosed
US-20100152255-A1 Organic Compounds DAMON ROBERT EDSON 2010-06-17 US disclosed
US-5677112-A USING AN ANTHRACENE COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
US-5576359-A ANTHRACENE DERIVATIVE, SOLVENT, COMPOUND CONTAINING GLYCIDYL GROUPS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-11-19 US disclosed
EP-0636941-B1 Deep ultraviolet absorbent and its use in pattern formation WAKO PURE CHEM IND LTD (JP) 1996-03-20 EP disclosed
US-5480576-A SILVER ANTITARNISH LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-01-02 US disclosed
US-5444056-A Hypotensive agnets, calcium channel blockers SANOFI (FR) 1995-08-22 US disclosed
EP-0636941-A1 Deep ultraviolet absorbent and its use in pattern formation WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1995-02-01 EP disclosed
US-5258132-A Stability, alkali resistance; liquid automatic dishwasher detergent LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-11-02 US disclosed
US-5230822-A Cleaning LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-07-27 US disclosed
US-5200236-A Spraying molten wax in a fluidized bed LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-04-06 US disclosed
US-4087369-A SURFACTANTS, BUILDERS, STORAGE STABILITY THE PROCTER & GAMBLE COMPANY (US) 1978-05-02 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 (5 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-20100152255-A1 Organic Compounds PPARG, FABP2, PPARA CA12 4508/4885CA1 4431/4885CA2 3311/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CA12 3823/4885CA1 2054/4885CA2 3787/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CA12 3823/4885CA1 2054/4885CA2 3787/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 CA12 4165/4885CA1 2742/4885CA2 4229/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL CA12 3823/4885CA1 2054/4885CA2 3787/4885

“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.