SCHEMBL2097646

SCHEMBL2097646

O=C(O)c1ccnc(S)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.53
KDM5A P29375 2/20 0.53
KDM3A Q9Y4C1 2/20 0.53
JMJD1C Q15652 1/20 0.53
ALOX15 P16050 3/20 0.48
TSHR P16473 2/20 0.48
ACMSD Q8TDX5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 5/20 0.45
KDM6B O15054 1/20 0.45
TET3 O43151 1/20 0.45
KDM4A O75164 1/20 0.45
BBOX1 O75936 1/20 0.45
MAPT P10636 1/20 0.45
KDM5C P41229 1/20 0.45
ASPH Q12797 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
TET2 Q6N021 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
KDM7A Q6ZMT4 1/20 0.45

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
SCHEMBL14311707 0.84 KDM4E (0.38) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL14306871 0.81 ALDH1A1 (0.45) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL14294143 0.81 KDM4E (0.35) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL8751997 0.81 ADORA3 (0.41) KDM4EKDM5AKDM3AJMJD1CTSHR
SCHEMBL1505808 0.77 KDM4E (0.57) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL87765 0.76 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL31126262 0.76 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL3560191 0.76 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL163233 0.76 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL1457909 0.74 KDM4E (0.58) KDM4EKDM5AKDM3AJMJD1CALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903064-A 2-Sulfonyl pyrimidine-4-carboxamide compound I and synthetic method thereof 西北师范大学 2024-04-19 CN claimed
CN-117903064-A 2-Sulfonyl pyrimidine-4-carboxamide compound I and synthetic method thereof 西北师范大学 2024-04-19 CN disclosed
US-20220193060-A1 Inhibition of IL-1 Induced Inflammation THIOLAB LLC (US) 2022-06-23 US disclosed
US-11022880-B2 Chemically amplified positive-type photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template, method of manufacturing plated article, and mercapto compound TOKYO OHKA KOGYO CO., LTD. (JP) 2021-06-01 US disclosed
WO-2020223608-A1 INHIBITION OF IL-1 AND IL-6 INFLAMMATION THIOLAB, LLC, (US) 2020-11-05 WO disclosed
US-20190121233-A1 CHEMICALLY AMPLIFIED POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PATTERNED RESIST FILM, METHOD OF MANUFACTURING SUBSTRATE WITH TEMPLATE, METHOD OF MANUFACTURING PLATED ARTICLE, AND MERCAPTO COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2019-04-25 US disclosed
US-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 US disclosed
US-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 US disclosed
US-8969365-B2 Thiopyrimidinecarboxamides as CXCR1/2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-03 US disclosed
EP-1383499-B1 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES GRASSETTI FAMILY TRUST (US) 2013-03-06 EP disclosed
US-8163776-B2 Immunomodulation by administering thione-forming dithiobis-heterocyclic compound, increased natural killer cell activity, expansion of NK cell population, decreased B cell population, decreased antibody production GRASSETTI FAMILY TRUST (US) 2012-04-24 US disclosed
US-20040265327-A1 Method of immunomodulation using thione-forming disulfides GRASSETTI, DAVIDE 2004-12-30 US disclosed
EP-1383499-A2 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES Grassetti, Davide R. (US) 2004-01-28 EP disclosed
WO-2002055080-A2 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES GRASSETTI DAVIDE R (US) 2002-07-18 WO disclosed
US-4378364-A DITHIOBIS(PYRIDINE-CARBOXYLIC ACID) TO RELIEVE PAIN, INCREASE APPETITE GRASSETTI DAVIDE R 1983-03-29 US 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-20190121233-A1 CHEMICALLY AMPLIFIED POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PATTERNED RESIST FILM, METHOD OF MANUFACTURING SUBSTRATE WITH TEMPLATE, METHOD OF MANUFACTURING PLATED ARTICLE, AND MERCAPTO COMPOUND CUTA, POLR1C, ASIC1 KDM4E 2101/4885KDM5A 966/4885KDM3A 730/4885
US-11022880-B2 Chemically amplified positive-type photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template, method of manufacturing plated article, and mercapto compound CUTA, POLR1C, ASIC1 KDM4E 2101/4885KDM5A 966/4885KDM3A 730/4885
US-20040265327-A1 Method of immunomodulation using thione-forming disulfides TST, PBK, ICOS KDM4E 3065/4885KDM5A 1849/4885KDM3A 3600/4885
US-20220193060-A1 Inhibition of IL-1 Induced Inflammation IL1B, IL1A, IL6 KDM4E 4132/4885KDM5A 3211/4885KDM3A 3764/4885

“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.