SCHEMBL14982873

SCHEMBL14982873

NS(=O)(=O)CCSC(=S)NCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ MAPT P10636 3/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ POLB P06746 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL14724324 0.77 KMT2A (0.50) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL12286028 0.76 KMT2A (0.49) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL6908855 0.75 ALDH1A1 (0.52) ALDH1A1MAPTGAAPOLBKDM4E
SCHEMBL12285586 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL12285715 0.72 HTT (0.58) ALDH1A1GAASMN1; SMN2CA2PKM
SCHEMBL525757 0.70 KMT2A (0.69) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL5448009 0.69 KMT2A (0.79) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL18050213 0.69 KMT2A (0.68) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL14724341 0.69 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL28198347 0.68 CA12 (0.45) ALDH1A1MAPTGAAPOLBKDM4E

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 2 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

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 ALDH1A1 2942/4885MAPT 4670/4885KMT2A 1408/4885

“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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