SCHEMBL2145837

SCHEMBL2145837

CCN(CC)C(=S)SCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.62
PHGDH O43175 3/20 0.62
ALDH1A1 P00352 9/20 0.54
LMNA P02545 4/20 0.54
HPGD P15428 4/20 0.54
EHMT2 Q96KQ7 3/20 0.54
EHMT1 Q9H9B1 3/20 0.54
NFKB1 P19838 3/20 0.54
HTT P42858 3/20 0.54
PKM P14618 3/20 0.54
ALDH2 P05091 2/20 0.54
CYP3A4 P08684 2/20 0.54
ABCB11 O95342 2/20 0.54
GSDMD P57764 2/20 0.54
PLIN1 O60240 1/20 0.54
GMNN O75496 1/20 0.54
TRPA1 O75762 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSP90AA1 P07900 1/20 0.54

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
SCHEMBL21221395 0.87 MGLL (0.71) MGLLPHGDHALDH1A1LMNAHPGD
SCHEMBL5965428 0.86 MGLL (0.58) MGLLPHGDHALDH1A1LMNAHPGD
SCHEMBL13652904 0.83 MGLL (0.65) MGLLPHGDHALDH1A1LMNAHPGD
SCHEMBL11850426 0.83 MGLL (0.65) MGLLPHGDHALDH1A1LMNAHPGD
SCHEMBL9115859 0.79 MGLL (0.60) MGLLPHGDHALDH1A1LMNAHPGD
SCHEMBL27668756 0.79 MGLL (0.60) MGLLPHGDHALDH1A1LMNAHPGD
SCHEMBL23690700 0.77 MGLL (0.58) MGLLPHGDHALDH1A1LMNAHPGD
SCHEMBL2242418 0.77 ALDH1A1 (0.62) MGLLPHGDHALDH1A1LMNAHPGD
Ammonia Solution, Strong SCHEMBL28326734 0.77 MGLL (0.58) MGLLPHGDHALDH1A1LMNAHPGD
SCHEMBL5972447 0.77 MGLL (0.71) MGLLPHGDHALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115738-A Pyrazolylamino substituted quinazoles for the treatment of cancer ASTRAZENECA AB (SE) 2008-01-30 CN claimed
CN-110199219-A Contact lenses monomer composition, contact lenses polymer and preparation method thereof and contact lenses and its manufacturing method 日油株式会社 2019-09-03 CN disclosed
CN-103781460-B Benefit agent delivery particles comprising dextran UNILEVER NEDERLAND B.V. (NL) 2016-05-18 CN disclosed
US-8772526-B2 Method for preparing dithiocarbamates in particular from polyols of the glycerol type CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-08 US disclosed
US-8772526-B2 Method for preparing dithiocarbamates in particular from polyols of the glycerol type CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-08 US disclosed
US-8772526-B2 Method for preparing dithiocarbamates in particular from polyols of the glycerol type CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-08 US disclosed
CN-103781460-A Benefit agent delivery particles comprising dextran UNILEVER NV 2014-05-07 CN disclosed
EP-2516390-B1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE CENTRE NAT RECH SCIENT (FR) 2014-02-26 EP disclosed
EP-2516390-B1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE CENTRE NAT RECH SCIENT (FR) 2014-02-26 EP disclosed
EP-2516390-A1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE Centre National de la Recherche Scientifique (FR) 2012-10-31 EP disclosed
US-20120264941-A1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-18 US disclosed
US-20120264941-A1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-18 US disclosed
US-20120264941-A1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-18 US disclosed
WO-2011083255-A1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-14 WO disclosed
WO-2011083255-A1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-14 WO disclosed
CN-101115738-A Pyrazolylamino substituted quinazoles for the treatment of cancer ASTRAZENECA AB (SE) 2008-01-30 CN disclosed
US-4018611-A Non-yellowing antimicrobial compositions comprising diiodomethyl sulfones METALORGANA ETABLISSEMENT (FL) 1977-04-19 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 (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-20120264941-A1 METHOD FOR PREPARING DITHIOCARBAMATES IN PARTICULAR FROM POLYOLS OF THE GLYCEROL TYPE CDS2, SGMS2, DGAT2 MGLL 105/4885PHGDH 137/4885ALDH1A1 3514/4885

“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.