SCHEMBL1901896

SCHEMBL1901896

O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1CCS(=O)(=O)O

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.80
MAP3K5 Q99683 7/20 0.61
HIF1AN Q9NWT6 1/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MCL1 Q07820 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
EIF4E P06730 1/20 0.59
EIF4G1 Q04637 1/20 0.59
THRB P10828 1/20 0.59
RECQL P46063 1/20 0.59
PKM P14618 2/20 0.56
PTPN7 P35236 1/20 0.54
PTPN12 Q05209 1/20 0.54
PTPN22 Q9Y2R2 1/20 0.54

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
SCHEMBL1901897 1.00 DUSP3 (0.80) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL1901898 1.00 DUSP3 (0.80) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL17527731 0.92 DUSP3 (0.76) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL1905191 0.89 DUSP3 (0.81) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL1905192 0.89 DUSP3 (0.81) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL1905190 0.89 DUSP3 (0.81) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL1907678 0.89 DUSP3 (1.00) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL1907681 0.89 DUSP3 (1.00) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL1907680 0.89 DUSP3 (1.00) DUSP3MAP3K5HIF1ANMAPTMEN1
SCHEMBL3903272 0.86 HIF1AN (0.80) MAP3K5HIF1ANMAPTMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176859-A1 High-Throughput Assay for Identifying Small Molecules that Modulate AMP-activated Protein Kinase (AMPK) NORTH CAROLINA CENTRAL UNIVERSITY 2016-06-23 US disclosed
US-20160176859-A1 High-Throughput Assay for Identifying Small Molecules that Modulate AMP-activated Protein Kinase (AMPK) NORTH CAROLINA CENTRAL UNIVERSITY 2016-06-23 US disclosed
US-20160176859-A1 High-Throughput Assay for Identifying Small Molecules that Modulate AMP-activated Protein Kinase (AMPK) NORTH CAROLINA CENTRAL UNIVERSITY 2016-06-23 US disclosed
WO-2016025023-A1 A HIGH-THROUGHPUT ASSAY FOR IDENTIFYING SMALL MOLECULES THAT MODULATE AMP-ACTIVATED PROTEIN KINASE (AMPK) NORTH CAROLINA CENTRAL UNIVERSITY (US) 2016-02-18 WO disclosed
WO-2016025023-A1 A HIGH-THROUGHPUT ASSAY FOR IDENTIFYING SMALL MOLECULES THAT MODULATE AMP-ACTIVATED PROTEIN KINASE (AMPK) NORTH CAROLINA CENTRAL UNIVERSITY (US) 2016-02-18 WO disclosed
US-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 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 (2 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-20160176859-A1 High-Throughput Assay for Identifying Small Molecules that Modulate AMP-activated Protein Kinase (AMPK) PRKAA1, PRKAG2, PRKAA2 DUSP3 431/4885MAP3K5 46/4885HIF1AN 806/4885
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 DUSP3 2075/4885MAP3K5 2663/4885HIF1AN 311/4885

“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.