SCHEMBL2076953

SCHEMBL2076953

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3546265 0.86 ALDH1A1 (0.51) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL2079053 0.84 ALDH1A1 (0.49) ALDH1A1TSHRGLAKMT2AMEN1
Propane SCHEMBL3346178 0.78 KMT2A (0.47) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL2893483 0.76 KMT2A (0.51) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL237873 0.76 KMT2A (0.51) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL12892655 0.76 SMN1; SMN2 (0.49) ALDH1A1GLAKMT2AMEN1SMN1; SMN2
SCHEMBL16093068 0.75 KMT2A (0.50) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL28870216 0.74 KDM4E (0.48) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL28870213 0.74 KDM4E (0.48) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL13305899 0.73 NPSR1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2PKM

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 13 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-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-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 ALDH1A1 1419/4885TSHR 2619/4885GLA 4404/4885

“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.