SCHEMBL14973687

SCHEMBL14973687

C[S+]([O-])CCN(Cc1ccco1)C(O)=S.NC(O)=S

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL14973616 0.85 MAPT (0.44) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL14973686 0.84 ALDH1A1 (0.39) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL14974205 0.77 ALOX5 (0.43) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL14973881 0.76 ALDH1A1 (0.48) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL14973944 0.75 ALOX5 (0.44) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL14974066 0.75 ALOX5 (0.45) ALOX5ALDH1A1MAPK1NPSR1TSHR
SCHEMBL14974200 0.72 KMT2A (0.44) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL27867316 0.72 ALOX5 (0.56) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL14973615 0.72 MAPT (0.45) ALDH1A1MAPK1NPSR1TSHRMAPT
SCHEMBL30440008 0.66 ALDH1A1 (0.57) ALDH1A1NPSR1TSHRMAPTKMT2A

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 ALOX5 1076/4885ALDH1A1 2942/4885MAPK1 551/4885

“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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