SCHEMBL442021

SCHEMBL442021

CCCN(CCC)C(=S)S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
ABCB11 O95342 2/20 0.60
GSDMD P57764 2/20 0.60
CYP2E1 P05181 1/20 0.60
PTGS1 P23219 1/20 0.60
CA12 O43570 7/20 0.57
CA2 P00918 7/20 0.57
CA9 Q16790 7/20 0.57
CA1 P00915 6/20 0.57
ALDH1A1 P00352 7/20 0.37
ALDH2 P05091 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 3/20 0.34
EHMT2 Q96KQ7 3/20 0.33
EHMT1 Q9H9B1 3/20 0.33
TP53 P04637 2/20 0.33
CA4 P22748 2/20 0.33
MGLL Q99685 2/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL2233780 0.97 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Water SCHEMBL27918103 0.97 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Ammonia Solution, Strong SCHEMBL6300194 0.97 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Hydrogen Sulfide SCHEMBL7978771 0.97 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Selenium SCHEMBL11490632 0.97 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Ammonia Solution, Strong SCHEMBL9323211 0.97 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
SCHEMBL27926635 0.97 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Zinc Ion SCHEMBL2986374 0.95 ABCB11 (0.55) HTTABCB11GSDMDCYP2E1PTGS1
Ethylene SCHEMBL21221525 0.95 ABCB11 (0.55) HTTABCB11GSDMDCYP2E1PTGS1
Water SCHEMBL27426640 0.95 ABCB11 (0.55) HTTABCB11GSDMDCYP2E1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250207021-A1 QUANTUM DOT AND PREPARATION METHOD THEREOF, AND LIGHT-EMITTING DEVICE GUANGDONG JUHUA RESEARCH INSTITUTE OF ADVANCED DISPLAY (CN) 2025-06-26 US claimed
CN-114014277-B Copper indium selenium nanocrystal, nano film, preparation method of copper indium selenium nanocrystal and preparation method of nano film and electronic device 广东省科学院半导体研究所 2023-04-11 CN claimed
US-20230100631-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Comprising the Same LG ENERGY SOLUTION, LTD. (KR) 2023-03-30 US claimed
CN-114014277-A Copper indium selenium nanocrystal, nano film, preparation method of copper indium selenium nanocrystal and preparation method of nano film and electronic device 广东省科学院半导体研究所 2022-02-08 CN claimed
CN-113430375-A Method for separating low-valence ferrovanadium-chromium solution 四川大学 2021-09-24 CN claimed
CN-112074332-A Method and system for supercritical fluid extraction of metals 多伦多大学管理委员会 2020-12-11 CN claimed
US-20190328886-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2019-10-31 US claimed
EP-3525886-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) 2019-08-21 EP claimed
WO-2018069525-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-19 WO claimed
EP-1688407-B1 METHOD OF PURIFYING (METH)ACRYLIC ACID MITSUBISHI CHEM CORP (JP) 2017-01-25 EP claimed
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS CO., LTD. (JP) 2004-01-29 US claimed
EP-1307239-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX Nihon Medi-Physics Co., Ltd. (JP) 2003-05-07 EP claimed
CN-1407854-A N-aryi-uracile-based herbicides BAYER AG (DE) 2003-04-02 CN claimed
WO-2002009771-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-02-07 WO claimed
EP-0690091-B1 Improvements in and relating to the reclaiming of natural and synthetic rubbers SEKHAR B C SDN BHD (MY) 1999-09-15 EP claimed
EP-0485213-B1 Aquatic antifouling compositions ROHM & HAAS (US) 1995-01-18 EP claimed
EP-0485213-A1 Aquatic antifouling compositions ROHM AND HAAS COMPANY (US) 1992-05-13 EP claimed
EP-0475781-A1 Aquatic antifouling compositions ROHM AND HAAS COMPANY (US) 1992-03-18 EP claimed
EP-0208541-B1 LUBRICANT COMPOSITIONS NIPPON OIL CO. LTD. (JP) 1991-12-04 EP claimed
EP-0010178-B1 HERBICIDAL COMPOSITIONS WHICH CONTAIN A THIOCARBAMATE AND AN ORGANOPHOSPHOROUS COMPOUND AND THEIR APPLICATION STAUFFER CHEMICAL COMPANY (US) 1983-02-16 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20190328886-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN PDIA5, SLC30A5, SLC30A6 HTT 1295/4885ABCB11 211/4885GSDMD 859/4885
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex SHBG, TNNT2, TNNI3 HTT 3100/4885ABCB11 985/4885GSDMD 4190/4885

“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.