SCHEMBL14724324

SCHEMBL14724324

OB(O)CCSC(=S)NCc1ccco1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ GAA P10253 2/20 0.50
▸ ALDH1A1 P00352 10/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ POLB P06746 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 1/20 0.44
▸ GPR174 Q9BXC1 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP1 Q9NUW8 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
SCHEMBL12286028 0.79 KMT2A (0.49) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL12285586 0.77 ALDH1A1 (0.47) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL14982873 0.77 ALDH1A1 (0.51) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL6908855 0.76 ALDH1A1 (0.52) GAAALDH1A1POLBMAPTKDM4E
SCHEMBL18050213 0.72 KMT2A (0.68) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL5448009 0.72 KMT2A (0.79) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL14724341 0.72 ALDH1A1 (0.45) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL11597341 0.70 KMT2A (0.70) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL6040569 0.70 KMT2A (0.64) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL12735094 0.70 KMT2A (0.64) KMT2AGAAALDH1A1MEN1POLB

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 KMT2A 1408/4885GAA 1564/4885ALDH1A1 2942/4885

“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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