SCHEMBL2772045

SCHEMBL2772045

S=C=NC1(N=C=S)C=CC(c2ccccc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.33
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL3412624 0.81
SCHEMBL10347909 0.75
SCHEMBL7985531 0.67 HTR2C (0.32) CYP3A4
SCHEMBL222998 0.67 CHRNA7 (0.35) TRPA1
SCHEMBL1577842 0.67 HTR2A (0.41)
SCHEMBL2390258 0.67 HTR2C (0.32) CYP3A4
SCHEMBL3625731 0.67 CYP2C19 (0.35) CYP3A4
SCHEMBL7511837 0.67 KDM1A (0.40) TRPA1ALDH1A1
SCHEMBL1074533 0.67 KDM1A (0.40)
SCHEMBL1593488 0.67 HTR2C (0.32) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230271-B1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2016-09-07 EP disclosed
EP-2982706-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2016-02-10 EP disclosed
EP-2223969-B1 RESIN COMPOSITION, TRANSPARENT MEMBER OBTAINED FROM THE RESIN COMPOSITION, AND USE OF THE SAME MITSUI CHEMICALS INC (JP) 2015-02-25 EP disclosed
US-8648130-B2 Resin composition, transparent member obtained from the resin composition, and use of the same MITSUI CHEMICALS, INC. (JP) 2014-02-11 US disclosed
US-8637633-B2 Polymerizable composition, and resin and optical part using the same MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
US-8394891-B2 Additive for polymerizable composition, polymerizable composition containing the same and use of the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2013-03-12 US disclosed
US-20130005934-A1 Polymerizable Composition, and Resin and Optical Part Using the Same MITSUI CHEMICALS, INC (JP) 2013-01-03 US disclosed
EP-2014700-B1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME AND OPTICAL COMPONENT MITSUI CHEMICALS INC (JP) 2012-06-13 EP disclosed
US-20100298519-A1 POLYMERIZABLE COMPOSITION, AND RESIN AND OPTICAL PART USING THE SAME MITSUI CHEMICALS, INC. (JP) 2010-11-25 US disclosed
US-20100286334-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-11-11 US 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
US-20050124783-A1 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2005-06-09 US disclosed
EP-1484352-A1 THIOEPOXY BASED POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCTION THEREOF MITSUI CHEMICALS, INC. (JP) 2004-12-08 EP 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
US-6773465-B1 Optical element ITOH OPTICAL INDUSTRIAL CO., LTD. (JP) 2004-08-10 US disclosed
US-6770735-B2 ORGANIC SULFIDES SUCH AS 1,1,3,3-TETRAKIS(MERCAPTOMETHYLTHIO) PROPANE, USED TO FORM RESINS HAVING HIGH REFRACTIVE INDEX, IMPACT STRENGTH AND HEAT REISTANCE, FOR USE AS LENSES, PRISMS OR OPTICAL FIBER AND FILTERS MITSUI CHEMICALS, INC. (JP) 2004-08-03 US disclosed
EP-0553801-B1 Use of sulfur-containing acid phosphoric ester as internal release agent MITSUI TOATSU CHEMICALS (JP) 1997-04-23 EP disclosed
US-5389708-A Polymerizing polyisocyanate or polyisothiocyanate with polyol or polythiol in presence of thiophosphoric or dithiophosphoric acid ester MITSUI TOATSU CHEMICALS, INC. (JP) 1995-02-14 US disclosed
EP-0553801-A1 Use of sulfur-containing acid phosphoric ester as internal release agent MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 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-20100286334-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME AND USE OF THE POLYMERIZABLE COMPOSITION B2M, MSH2, PBRM1 MIF 831/4885TRPA1 4144/4885ALDH1A1 3728/4885

“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.