SCHEMBL19834077

SCHEMBL19834077

O=S([O-])c1ccc(Cl)cc1.O=S([O-])c1ccc(Cl)cc1.[Ca+2]

nearest known ligand 0.42

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
LMNA P02545 2/20 0.42
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CES2 O00748 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
SCHEMBL19834135 0.95 LMNA (0.42) LMNACYP2A6ALDH1A1CYP3A4MAPK1
Lithium Ion SCHEMBL3292255 0.95 LMNA (0.42) LMNACYP2A6ALDH1A1CYP3A4MAPK1
Potassium Ion SCHEMBL6700152 0.95 LMNA (0.42) LMNACYP2A6ALDH1A1CYP3A4MAPK1
SCHEMBL749971 0.95 LMNA (0.42) LMNACYP2A6ALDH1A1CYP3A4MAPK1
SCHEMBL2037913 0.95 LMNA (0.42) LMNACYP2A6ALDH1A1CYP3A4MAPK1
SCHEMBL10980792 0.95 LMNA (0.42) LMNACYP2A6ALDH1A1CYP3A4MAPK1
Water SCHEMBL11627421 0.92 LMNA (0.40) LMNACYP2A6ALDH1A1CYP3A4MAPK1
Tetramethylammonium Ion SCHEMBL19834093 0.88 MEN1 (0.37) LMNACYP2A6ALDH1A1CYP3A4MAPK1
SCHEMBL11645920 0.88 MEN1 (0.37) LMNACYP2A6ALDH1A1CYP3A4MAPK1
Tetrylammonium SCHEMBL19834090 0.81 KCNH2 (0.37) LMNAALDH1A1CYP3A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024190887-A1 DENTAL POLYMERIZATION KIT サンメディカル株式会社 2024-09-19 WO disclosed
WO-2024190888-A1 DENTAL POLYMERIZATION KIT サンメディカル株式会社 2024-09-19 WO disclosed
US-20240148613-A1 DENTAL POLYMERIZATION KIT SUN MEDICAL CO., LTD. (JP) 2024-05-09 US disclosed
EP-4316453-A1 DENTAL POLYMERIZATION KIT Sun Medical Co., Ltd. (JP) 2024-02-07 EP disclosed
EP-3278787-B1 POLYMERIZABLE MONOMER FOR DENTAL MATERIALS, COMPOSITION, ADHESIVE DENTAL MATERIAL, AND KIT MITSUI CHEMICALS INC (JP) 2022-03-23 EP disclosed
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2021-09-07 US disclosed
US-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2020-01-30 US disclosed
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2019-11-12 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 US disclosed
EP-3278787-A1 POLYMERIZABLE MONOMER FOR DENTAL MATERIALS, COMPOSITION, ADHESIVE DENTAL MATERIAL, AND KIT Mitsui Chemicals, Inc. (JP) 2018-02-07 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-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS ACTN1, SMCHD1, CAPZA1 LMNA 1974/4885CYP2A6 4659/4885ALDH1A1 302/4885
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits HRH3, HRH1, HRH2 LMNA 2937/4885CYP2A6 1147/4885ALDH1A1 394/4885
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits ACTN1, SMCHD1, CAPZA1 LMNA 1974/4885CYP2A6 4659/4885ALDH1A1 302/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 LMNA 2937/4885CYP2A6 1147/4885ALDH1A1 394/4885

“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.