SCHEMBL14724330

SCHEMBL14724330

N#CCCSC(=S)NCc1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL6908588 0.73 LMNA (0.37) MEN1KMT2APKMTSHR
SCHEMBL12286028 0.72 KMT2A (0.49) MEN1MAPTKMT2AGAA
SCHEMBL14982897 0.71 CA9 (0.42) MAPTGAAPKM
SCHEMBL14724326 0.70 HTT (0.60) GAAPKM
SCHEMBL14985815 0.69 HTT (0.38) MAPTGAAPKM
SCHEMBL23112205 0.67 PHGDH (0.52) MEN1MAPTKMT2AGAACYP1A2
SCHEMBL12284864 0.67 HDAC8 (0.51) KMT2ATSHR
SCHEMBL14982890 0.67 SMN1; SMN2 (0.40) PKMTSHR
SCHEMBL12287806 0.67 BTK (0.37) MAPTPKM
SCHEMBL14982887 0.66 ATG4B (0.40) IDO1MEN1MAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF PEKING UNIVERSITY (CN) 2013-05-30 — — US disclosed
US-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF PEKING UNIVERSITY (CN) 2013-05-30 — — US disclosed
EP-2562157-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Peking University (CN) 2013-02-27 — — EP 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-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF LTK, ERBB2, ABL1 IDO1 2550/4885MEN1 3313/4885MAPT 4670/4885

“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.

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