SCHEMBL1402789

SCHEMBL1402789

O=S(=O)(c1ccc(SCC2CO2)cc1)c1ccc(SCC2CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
PKM P14618 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
CHRM2 P08172 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM3 P20309 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 6/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA7 P43166 3/20 0.35
CA13 Q8N1Q1 3/20 0.35
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CHRM1 P11229 2/20 0.33
CYP3A4 P08684 2/20 0.33
HTR6 P50406 2/20 0.33
MAPK1 P28482 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
SCHEMBL1402675 0.84 DRD4 (0.36) ALDH1A1CHRM2CHRM5CHRM3CHRM1
SCHEMBL4401123 0.84 PKM (0.39) LMNAPKMALDH1A1GAACHRM2
SCHEMBL7606848 0.82 PKM (0.46) LMNAPKMALDH1A1GAACHRM2
SCHEMBL1402587 0.79 DRD4 (0.34) ALDH1A1CHRM2CHRM5CHRM3CHRM1
SCHEMBL83271 0.79 CHRM2 (0.40) ALDH1A1CHRM2CHRM5CHRM3CHRM1
SCHEMBL15700020 0.79 CHRM2 (0.40) ALDH1A1CHRM2CHRM5CHRM3CHRM1
SCHEMBL7282254 0.76 CRBN (0.45) ALDH1A1MEN1KMT2AMAPK1TSHR
SCHEMBL1402362 0.76 DRD4 (0.38) CHRM2CHRM5CHRM3CYP3A4
SCHEMBL10533009 0.76 CRBN (0.45) ALDH1A1CYP3A4CYP2C9
SCHEMBL83272 0.76 DRD4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438147-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL OBTAINED FROM COMPOSITION, AND PLASTIC LENS MITSUI CHEMICALS INC (JP) 2023-06-21 EP disclosed
US-11639413-B2 Polymerizable composition for optical materials and application of same MITSUI CHEMICALS, INC. (JP) 2023-05-02 US disclosed
CN-111868099-B Method for setting polymerization conditions and method for producing optical material 三井化学株式会社 2022-12-16 CN disclosed
CN-110914322-B Polymerizable composition for optical material, and use thereof 三井化学株式会社 2022-08-23 CN disclosed
US-11414515-B2 Polymerizable composition for optical material and optical material and plastic lens obtainable from same composition MITSUI CHEMICALS, INC. (JP) 2022-08-16 US disclosed
US-11358354-B2 Process for producing plastic lens and apparatus for producing plastic lens MITSUI CHEMICALS, INC. (JP) 2022-06-14 US disclosed
US-11312857-B2 Polymerizable composition and molded product MITSUI CHEMICALS, INC. (JP) 2022-04-26 US disclosed
CN-109790272-B Polymerizable composition for optical material and use thereof 三井化学株式会社 2021-11-19 CN disclosed
CN-110325594-B Polymerizable composition and molded article 三井化学株式会社 2021-08-24 CN disclosed
EP-2123695-B1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2021-06-23 EP disclosed
US-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN MITSUI CHEMICALS, INC. (JP) 2010-09-23 US disclosed
EP-2230271-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-09-22 EP disclosed
EP-1482002-B1 POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2010-04-28 EP disclosed
US-20100063246-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME, OPTICAL COMPONENT AND LENS MITSUI CHEMICALS, INC. (JP) 2010-03-11 US disclosed
EP-2123695-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN Mitsui Chemicals, Inc. (JP) 2009-11-25 EP disclosed
EP-2036951-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME, OPTICAL COMPONENT AND LENS Mitsui Chemicals, Inc. (JP) 2009-03-18 EP disclosed
EP-2014700-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME AND OPTICAL COMPONENT Mitsui Chemicals, Inc. (JP) 2009-01-14 EP disclosed
US-7132501-B2 Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2006-11-07 US disclosed
US-20050215757-A1 Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2005-09-29 US disclosed
EP-1482002-A1 POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2004-12-01 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 (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-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN TERB1, TPR, TBXAS1 LMNA 4123/4885PKM 3513/4885ALDH1A1 3357/4885

“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.