SCHEMBL1022294

SCHEMBL1022294

Cc1ccc(S(=O)[O-])cc1.Cc1ccc(S(=O)[O-])cc1.[Ca+2]

nearest known ligand 0.59

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
MMP1 known ✓ P03956 1/20 0.33
MMP8 known ✓ P22894 1/20 0.33
MMP13 known ✓ P45452 1/20 0.33
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.40
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL6711266 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL19712281 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Zinc Ion SCHEMBL1863861 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Silver SCHEMBL10840126 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Potassium Ion SCHEMBL1024086 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL6711632 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Lithium Ion SCHEMBL411846 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL64752 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL3155238 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Water SCHEMBL3841382 0.92 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12622847-B2 Organosilicon compound and dental composition containing same KURARAY NORITAKE DENTAL INC. (JP) 2026-05-12 US disclosed
US-20260060900-A1 DENTAL COMPOSITE RESIN KIT SHOFU INC. (JP) 2026-03-05 US disclosed
US-12478562-B2 Dental restoration material composition KURARAY NORITAKE DENTAL INC. (JP) 2025-11-25 US disclosed
US-12465559-B2 Fluorescent curable dental composition and cured product thereof KURARAY NORITAKE DENTAL INC. (JP) 2025-11-11 US disclosed
EP-4613256-A1 DENTAL ADHESIVE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2025-09-10 EP disclosed
US-12396929-B2 Dental composition DENTSPLY SIRONA INC. (US) 2025-08-26 US disclosed
US-20250213434-A1 DENTAL CURABLE COMPOSITION HAVING FAVORABLE COLOR COMPATIBILITY KURARAY NORITAKE DENTAL INC. (JP) 2025-07-03 US disclosed
WO-2025126917-A1 DENTAL COMPOSITION クラレノリタケデンタル株式会社 2025-06-19 WO disclosed
US-20250082550-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY SIRONA INC. (US) 2025-03-13 US disclosed
US-20250064686-A1 DENTAL CURABLE COMPOSITION CONTAINING ULTRAVIOLET ABSORBER SHOFU INC (JP) 2025-02-27 US disclosed
US-20100056665-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-03-04 US disclosed
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-25 US disclosed
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-02-25 US disclosed
US-20100036075-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-11 US disclosed
EP-2133368-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-12-16 EP disclosed
EP-2112177-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2112178-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2108664-A1 COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2070935-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE Kuraray Medical Inc. (JP) 2009-06-17 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 (10 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-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION WDR82, PWWP2B, WDR5 MMP1 3044/4885MMP8 4209/4885MMP13 3420/4885
US-20260060900-A1 DENTAL COMPOSITE RESIN KIT BOLA2; BOLA2B, LBR, COL2A1 MMP1 1019/4885MMP8 1732/4885MMP13 1921/4885
US-12396929-B2 Dental composition CAD, PHOSPHO1, PLA2G2C MMP1 3412/4885MMP8 1899/4885MMP13 2709/4885
US-12465559-B2 Fluorescent curable dental composition and cured product thereof BRD1, TBCA, BAZ1A MMP1 912/4885MMP8 2368/4885MMP13 1552/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 MMP1 3546/4885MMP8 4470/4885MMP13 3933/4885
US-20250064686-A1 DENTAL CURABLE COMPOSITION CONTAINING ULTRAVIOLET ABSORBER ERCC1, DSC1, CRYAA MMP1 1673/4885MMP8 2605/4885MMP13 1176/4885
US-20100056665-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL ITGA1, COL1A1, MACF1 MMP1 1141/4885MMP8 2875/4885MMP13 1985/4885
US-12478562-B2 Dental restoration material composition CAD, MAT2B, RER1 MMP1 3906/4885MMP8 4530/4885MMP13 4226/4885
US-12622847-B2 Organosilicon compound and dental composition containing same MSL1, ITGA1, ITGAL MMP1 1950/4885MMP8 2769/4885MMP13 3622/4885
US-20250082550-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DUOX2, DUOX1, QSOX1 MMP1 2922/4885MMP8 4522/4885MMP13 4721/4885

“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.