SCHEMBL1283040

SCHEMBL1283040

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.41

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 9)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.41
CA1 known ✓ P00915 2/20 0.39
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 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
SCHEMBL7207850 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7098262 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL626430 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7096164 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL223461 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7095267 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7098222 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL9651092 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7100030 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL472819 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115196980-A Preparation method of magnesia-carbon refractory castable 偃师中岳耐火材料有限公司 2022-10-18 CN disclosed
US-20180163056-A1 HYDROPHILIC CURABLE COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed
US-20180036995-A1 HYDROPHILIC MONOLAYER FILM WITH OPTICAL FUNCTIONALITY AND STACK OF THE SAME MITSUI CHEMICALS, INC. (JP) 2018-02-08 US disclosed
EP-3270192-A1 HYDROPHILIC SINGLE-LAYER FILM HAVING OPTICAL FUNCTIONALITY, AND LAMINATE THEREOF Mitsui Chemicals, Inc. (JP) 2018-01-17 EP disclosed
US-20170209345-A1 DENTAL PROSTHESIS MITSUI CHEMICALS, INC. (JP) 2017-07-27 US disclosed
EP-3081578-A1 COMPOSITION FOR HYDROPHILIC CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2016-10-19 EP disclosed
EP-2648921-B1 TRANSPARENT INK-JET RECORDING FILMS CARESTREAM HEALTH INC (US) 2015-11-04 EP disclosed
EP-2629981-B1 TRANSPARENT INK- JET RECORDING FILMS CARESTREAM HEALTH INC (US) 2015-08-05 EP disclosed
EP-2625042-B1 TRANSPARENT INK-JET RECORDING FILMS, COMPOSITIONS, AND METHODS CARESTREAM HEALTH INC (US) 2015-07-08 EP disclosed
EP-2741921-A1 TRANSPARENT INK-JET RECORDING FILMS Carestream Health, Inc. (US) 2014-06-18 EP disclosed
US-6165699-A Annealed adhesion promoting layer for photographic imaging elements EASTMAN KODAK COMPANY (US) 2000-12-26 US disclosed
US-6162597-A POLYVINYL ACETAL BINDER; ADHESIVE GLYCIDYL INTERLAYER BONDING POLYESTER SUPPORT EASTMAN KODAK COMPANY (US) 2000-12-19 US disclosed
EP-0672620-B1 Process for reducing the moisture content of alumina trihydrate CYTEC TECH CORP (US) 1997-10-29 EP disclosed
EP-0672620-A1 Process for reducing the moisture content of alumina trihydrate CYTEC TECHNOLOGY CORP. (US) 1995-09-20 EP disclosed
US-5451329-A Sulfosuccinate and oil CYTEC TECHNOLOGY CORP. (US) 1995-09-19 US disclosed
US-4328283-A Photographic polyester supports subjected to subbing treatment KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1982-05-04 US disclosed
US-4230746-A SULFATE FOAMING AGENT, TERTIARY AMINE OR QUATERNARY SALT DISPERSANT, SULFOSUCCINATE STABILIZER GAF CORPORATION (US) 1980-10-28 US disclosed
US-4208485-A ORGANIC SULFATE, SULFOSUCCINIC ACID DERIVATIVES, AND AN ALKYLENEOXY AMINE GAF CORPORATION (US) 1980-06-17 US disclosed
US-4198316-A Foaming composition for textile finishing and coatings GAF CORPORATION (US) 1980-04-15 US disclosed
US-4158623-A CONDITIONING AN AQUEOUS SLURRY WITH A FATTY ACID AND A DIALKYL SULFOSUCCINATE AMERICAN CYANAMID COMPANY (US) 1979-06-19 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-20170209345-A1 DENTAL PROSTHESIS CAD, OR10J3, PSMA3 CA2 168/4885CA1 5/4885CYP3A4 3769/4885

“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.