SCHEMBL14714725

SCHEMBL14714725

Cc1cc(CN(CCC#N)C(=S)S)n(C)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL14714727 0.85 GAA (0.33) GAATSHRMAPTALOX15KMT2A
SCHEMBL14715389 0.73 ALDH1A1 (0.33) GAAALDH1A1
SCHEMBL4207109 0.67 KCNH2 (0.38) GAATSHRRECQLALDH1A1
SCHEMBL14973631 0.67 L3MBTL1 (0.53) GAAMAPTRECQLALDH1A1
SCHEMBL14973718 0.67 GAA (0.42) GAAMAPTRECQLALDH1A1
SCHEMBL20614490 0.67 KCNH2 (0.40) —
SCHEMBL14724343 0.66 GAA (0.33) GAATSHRMAPTALOX15KMT2A
SCHEMBL13981626 0.65 KCNH2 (0.39) —
SCHEMBL14715394 0.65 SMO (0.41) GAAMAPTALDH1A1
SCHEMBL14715230 0.65 ALDH1A1 (0.44) GAAMAPTRECQLALDH1A1

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 4 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
EP-2562157-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Peking University (CN) 2013-02-27 — — EP claimed
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 GAA 1564/4885TSHR 521/4885MAPT 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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