SCHEMBL14974825

SCHEMBL14974825

N#CCCN(Cc1nccs1)C(=S)S

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.37
▸ POLB P06746 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 2/20 0.34
▸ F2 P00734 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ FDPS P14324 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL14974827 0.84 ALDH1A1 (0.38) ALDH1A1POLBTRPM8MAPTGAA
SCHEMBL14973979 0.73 ALDH1A1 (0.38) ALDH1A1MAPTGAAL3MBTL1LMNA
SCHEMBL14973631 0.72 L3MBTL1 (0.53) ALDH1A1POLBMAPTGAAL3MBTL1
SCHEMBL14973718 0.70 GAA (0.42) ALDH1A1POLBMAPTGAAL3MBTL1
SCHEMBL14714614 0.69 ALDH1A1 (0.53) ALDH1A1POLBMAPTGAAL3MBTL1
SCHEMBL14714945 0.69 TSHR (0.43) ALDH1A1MAPTGAATSHRLMNA
SCHEMBL14974219 0.69 ALDH1A1 (0.59) ALDH1A1MAPTGAAKMT2ALMNA
SCHEMBL2358649 0.68 — —
SCHEMBL14715389 0.68 ALDH1A1 (0.33) ALDH1A1GAA
Hydrochloric Acid SCHEMBL14974213 0.68 ALDH1A1 (0.58) ALDH1A1MAPTGAAKMT2ALMNA

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 claimed
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 2942/4885POLB 2417/4885TRPM8 4796/4885

“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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