SCHEMBL14974348

SCHEMBL14974348

NS(=O)(=O)CCN(Cc1cccnc1)C(=S)S

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.42
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ GRM2 Q14416 3/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL14974350 0.86 KMT2A (0.47) KMT2AALDH1A1CHRNB2CHRNA4NAMPT
SCHEMBL14974733 0.77 KMT2A (0.45) KMT2AALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL14974219 0.76 ALDH1A1 (0.59) KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL14974213 0.75 ALDH1A1 (0.58) KMT2AALDH1A1LMNA
SCHEMBL14973956 0.75 ALDH1A1 (0.51) KMT2AALDH1A1
SCHEMBL14974198 0.74 CHRNB2 (0.44) KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL5664324 0.73 CHRNB2 (0.55) KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL14973869 0.72 KMT2A (0.46) KMT2AALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL14973943 0.71 TP53 (0.43) ALDH1A1
SCHEMBL4245616 0.71 CHRNA7 (0.58) —

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 KMT2A 1408/4885ALDH1A1 2942/4885CHRNB2 4638/4885

“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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