SCHEMBL3147532

SCHEMBL3147532

Cc1ccccc1S(=O)[O-].Cc1ccccc1S(=O)[O-].[Ca+2]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
TSHR P16473 2/20 0.41
ACHE P22303 2/20 0.41
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 4/20 0.34
G6PD P11413 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
HTR2C P28335 2/20 0.32
ADRB1 P08588 1/20 0.32
CYP3A4 P08684 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2A6 P11509 2/20 0.31
CYP1A2 P05177 2/20 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
SCHEMBL30679046 1.00 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
Zinc Ion SCHEMBL1863860 0.95 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
Potassium Ion SCHEMBL30679053 0.95 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
Silver SCHEMBL4383778 0.95 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
Lithium Ion SCHEMBL3157621 0.95 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
Potassium Ion SCHEMBL3152587 0.95 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
SCHEMBL1584746 0.95 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
SCHEMBL29377579 0.95 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
Lithium Ion SCHEMBL30679052 0.95 TSHR (0.41) TSHRACHEKEAP1NFE2L2HSD17B10
Water SCHEMBL7135005 0.93 TSHR (0.39) TSHRACHEKEAP1NFE2L2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148613-A1 DENTAL POLYMERIZATION KIT SUN MEDICAL CO., LTD. (JP) 2024-05-09 US disclosed
WO-2024075641-A1 POLYMER MATERIAL FOR USE IN DENTISTRY サンメディカル株式会社 2024-04-11 WO disclosed
EP-4316453-A1 DENTAL POLYMERIZATION KIT Sun Medical Co., Ltd. (JP) 2024-02-07 EP disclosed
US-11844847-B2 Sulfur-containing polymerizable monomer and use thereof SUN MEDICAL CO., LTD. (JP) 2023-12-19 US disclosed
CN-112940432-B Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2022-12-30 CN disclosed
US-20210298997-A1 SULFUR-CONTAINING POLYMERIZABLE MONOMER AND USE THEREOF SUN MEDICAL CO., LTD. (JP) 2021-09-30 US disclosed
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2021-09-07 US disclosed
CN-107427414-B Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2021-07-02 CN disclosed
EP-3835289-A1 SULFUR-CONTAINING POLYMERIZABLE MONOMER AND USE THEREOF Sun Medical Co., Ltd. (JP) 2021-06-16 EP disclosed
CN-112940432-A Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2021-06-11 CN disclosed
US-8297975-B2 Reaction-curable adhesive composition and dental adhesive kit SUN MEDICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20100292359-A1 Reaction-Curable Adhesive Composition and Dental Adhesive Kit SUN MEDICAL CO., LTD. (JP) 2010-11-18 US disclosed
EP-1249221-B1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2010-10-13 EP disclosed
EP-2156817-A1 REACTION-SETTING ADHESIVE COMPOSITION, AND ADHESIVE MATERIAL KIT FOR DENTAL APPLICATIONS SUN MEDICAL CO., LTD. (JP) 2010-02-24 EP disclosed
EP-0923924-B1 Dental adhesive kit SUN MEDICAL CO LTD (JP) 2005-03-09 EP disclosed
US-6759449-B2 NONCROSSLINKING POLYMETHYL METHACRYLATE AND POLYETHYL METH-ACRYLATE SPHERICAL FILLER, UNSATURATED ACID FUNCTIONALIZED MONOMER AND POLYMERIZATION INITIATOR TOKUYAMA DENTAL CORPORATION (JP) 2004-07-06 US disclosed
US-20030050359-A1 Dental adhesive composition TOKUYAMA DENTAL CORPORATION (JP) 2003-03-13 US disclosed
EP-1249221-A1 DENTAL ADHESIVE COMPOSITION Tokuyama Dental Corporation (JP) 2002-10-16 EP disclosed
US-6288138-B1 Dental adhesive kit SUN MEDICAL CO., LTD. (JP) 2001-09-11 US disclosed
EP-0923924-A2 Dental adhesive kit SUN MEDICAL CO., LTD. (JP) 1999-06-23 EP 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 (4 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-20210298997-A1 SULFUR-CONTAINING POLYMERIZABLE MONOMER AND USE THEREOF MGMT, SETDB1, ASH2L TSHR 4059/4885ACHE 4198/4885KEAP1 2002/4885
US-11844847-B2 Sulfur-containing polymerizable monomer and use thereof MGMT, SETDB1, ASH2L TSHR 4059/4885ACHE 4198/4885KEAP1 2002/4885
US-20030050359-A1 Dental adhesive composition CAD, ASIC1, CD44 TSHR 4226/4885ACHE 4013/4885KEAP1 2738/4885
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits ACTN1, SMCHD1, CAPZA1 TSHR 4160/4885ACHE 2879/4885KEAP1 3562/4885

“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.