SCHEMBL14973615

SCHEMBL14973615

[O-][S+](CCN(Cc1ccco1)C(=S)S)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 6/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ TSHR P16473 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL14973616 0.87 MAPT (0.44) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL14973686 0.84 ALDH1A1 (0.39) MAPTALDH1A1NPSR1TSHRPOLB
SCHEMBL14973869 0.76 KMT2A (0.46) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL14973687 0.72 ALOX5 (0.40) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL14974204 0.71 TP53 (0.43) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL14973878 0.70 ALDH1A1 (0.50) MAPTALDH1A1LMNAKDM4E
SCHEMBL14973943 0.69 TP53 (0.43) MAPTALDH1A1NPSR1TSHRPOLB
SCHEMBL14724341 0.68 ALDH1A1 (0.45) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL14974065 0.67 TSHR (0.44) MAPTALDH1A1NPSR1TSHRPOLB
SCHEMBL20982037 0.64 POLB (0.40) MAPTALDH1A1NPSR1KMT2APOLB

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 MAPT 4670/4885ALDH1A1 2942/4885NPSR1 3043/4885

“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.

Send feedback