SCHEMBL442022

SCHEMBL442022

CCCN(CCC)C(O)=S.NC(O)=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 6/20 0.52
CA1 P00915 5/20 0.52
ALDH1A1 P00352 4/20 0.34
ALDH2 P05091 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIN2D O15399 3/20 0.32
GRIN3B O60391 3/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
GRIN2B Q13224 3/20 0.32
GRIN2C Q14957 3/20 0.32
GRIN3A Q8TCU5 3/20 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
SCHEMBL8993636 0.97 CA12 (0.50) CA12CA2CA9CA1ALDH1A1
Ammonia Solution, Strong SCHEMBL11858080 0.97 CA12 (0.50) CA12CA2CA9CA1ALDH1A1
SCHEMBL16628394 0.97 CA12 (0.50) CA12CA2CA9CA1ALDH1A1
SCHEMBL15157751 0.97 CA12 (0.50) CA12CA2CA9CA1ALDH1A1
SCHEMBL1535817 0.92 CA12 (0.60) CA12CA2CA9CA1ALDH1A1
Hydrochloric Acid SCHEMBL10823081 0.89 CA12 (0.57) CA12CA2CA9CA1ALDH1A1
SCHEMBL21801816 0.89 CA12 (0.57) CA12CA2CA9CA1ALDH1A1
Propene SCHEMBL11346744 0.89 CA12 (0.43) CA12CA2CA9CA1ALDH1A1
SCHEMBL10891819 0.87 CA12 (0.41) CA12CA2CA9CA1ALDH1A1
SCHEMBL244471 0.85 ALDH1A1 (0.52) CA12CA2CA9CA1ALDH1A1

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 120 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
US-20230100631-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Comprising the Same LG ENERGY SOLUTION, LTD. (KR) 2023-03-30 US 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-20140220152-A1 Compositions and Methods for Detecting, Treating, or Preventing Reductive Stress UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-08-07 US claimed
EP-0911382-B1 Grease composition for rolling bearings NIPPON MITSUBISHI OIL CORP (JP) 2012-08-01 EP 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-0208541-B1 LUBRICANT COMPOSITIONS NIPPON OIL CO. LTD. (JP) 1991-12-04 EP claimed
JP-10077261-A None JP disclosed
EP-4724523-A1 ANTIVIBRATION RUBBER COMPOSITION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2026-04-15 EP disclosed
US-12516258-B2 Phosphorous-free oil soluble molybdenum complexes for high temperature naphthenic acid corrosion inhibition ECOLAB USA INC. (US) 2026-01-06 US disclosed
EP-4419583-B1 PROCESS FOR THE PREPARATION OF A RUBBER COMPOSITION MICHELIN & CIE (FR) 2025-12-03 EP disclosed
EP-0656415-B1 Sulfurized aqueous machining fluid composition CINCINNATI MILACRON INC (US) 1997-10-08 EP disclosed
EP-0656415-A1 Sulfurized aqueous machining fluid composition CINCINNATI MILACRON INC. (US) 1995-06-07 EP disclosed
US-5391310-A Mixture of water and an organosulfur compound CINCINNATI MILACRON INC. (US) 1995-02-21 US disclosed
US-4588829-A OIL ADDITIVES EXXON RESEARCH & ENGINEERING COMPANY (US) 1986-05-13 US disclosed
US-4017439-A METAL OXIDES, THIADIAZINE AND DITHIOCARBAMATE ACCELERATORS R. T. VANDERBILT COMPANY, INC. (US) 1977-04-12 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 (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 CA12 132/4885CA2 9/4885CA9 41/4885
US-20140220152-A1 Compositions and Methods for Detecting, Treating, or Preventing Reductive Stress TNNC1, TNNI3, TXN2 CA12 3670/4885CA2 2514/4885CA9 3926/4885

“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.