SCHEMBL12423871

SCHEMBL12423871

COC(=O)C(SC(=S)OC(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KLK7 P49862 4/20 0.40
HTT P42858 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL21305326 0.86 HTT (0.40) KMT2AKLK7HTTSMN1; SMN2LMNA
SCHEMBL21307659 0.82 ALDH1A1 (0.45) KMT2AKLK7HTTSMN1; SMN2NPSR1
SCHEMBL16093068 0.82 KMT2A (0.50) KMT2AKLK7HTTPTGS1PTGS2
SCHEMBL237873 0.80 KMT2A (0.51) KMT2APTGS1PTGS2SMN1; SMN2NPSR1
SCHEMBL2893483 0.80 KMT2A (0.51) KMT2APTGS1PTGS2SMN1; SMN2NPSR1
Propane SCHEMBL3346178 0.77 KMT2A (0.47) KMT2APTGS1PTGS2SMN1; SMN2NPSR1
SCHEMBL283611 0.76 KMT2A (0.62) KMT2APTGS1PTGS2SMN1; SMN2NPSR1
SCHEMBL13305881 0.75 KMT2A (0.46) KMT2AHTTPTGS1PTGS2SMN1; SMN2
SCHEMBL13305895 0.75 KMT2A (0.46) KMT2APTGS1PTGS2SMN1; SMN2NPSR1
SCHEMBL16841424 0.75 KMT2A (0.53) KMT2APTGS1PTGS2SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400508-B1 Dithiocarbamic acid ester LANXESS DEUTSCHLAND GMBH (DE) 2014-12-24 EP disclosed
US-7977431-B2 Dithiocarbamic esters LANXESS DEUTSCHLAND GMBH (DE) 2011-07-12 US disclosed
US-7977431-B2 Dithiocarbamic esters LANXESS DEUTSCHLAND GMBH (DE) 2011-07-12 US disclosed
US-20110015360-A1 DITHIOCARBAMIC ESTERS LANXESS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
US-20110015360-A1 DITHIOCARBAMIC ESTERS LANXESS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
US-7825193-B2 Dithiocarbamic esters LANXESS DEUTSCHLAND GMBH (DE) 2010-11-02 US disclosed
US-7825193-B2 Dithiocarbamic esters LANXESS DEUTSCHLAND GMBH (DE) 2010-11-02 US disclosed
US-20070078229-A1 suitable for regulating the molecular weight during the polymerization of chloroprene and/or 2,3-dichlorobutadiene; compound purity; no sacrifice of polymerization rate; efficient; industrial scale ARLANXEO DEUTSCHLAND GMBH (DE) 2007-04-05 US disclosed
US-20070078229-A1 suitable for regulating the molecular weight during the polymerization of chloroprene and/or 2,3-dichlorobutadiene; compound purity; no sacrifice of polymerization rate; efficient; industrial scale ARLANXEO DEUTSCHLAND GMBH (DE) 2007-04-05 US disclosed
US-7169937-B2 Dithiocarbamic esters BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-7169937-B2 Dithiocarbamic esters BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 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-20070078229-A1 suitable for regulating the molecular weight during the polymerization of chloroprene and/or 2,3-dichlorobutadiene; compound purity; no sacrifice of polymerization rate; efficient; industrial scale DDT, DHPS, CBR3 KMT2A 2686/4885KLK7 4033/4885HTT 3932/4885

“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.