SCHEMBL1906892

SCHEMBL1906892

COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 9/20 1.00
DNMT1 P26358 3/20 0.83
PTPN1 P18031 10/20 0.81
PTPRC P08575 5/20 0.81
DUSP1 P28562 5/20 0.81
PTPN7 P35236 5/20 0.81
CDC25A P30304 4/20 0.81
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
POLB P06746 3/20 0.79
BLM P54132 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
GPR55 Q9Y2T6 1/20 0.62
MAPT P10636 1/20 0.62
PKM P14618 1/20 0.62
MAPK1 P28482 1/20 0.62
GALK1 P51570 1/20 0.62
MCL1 Q07820 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
PLEC Q15149 1/20 0.62

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
SCHEMBL1906891 1.00 DUSP3 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL1906889 1.00 DUSP3 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL4411170 0.91 DUSP3 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL4411166 0.91 DUSP3 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL4411173 0.91 DUSP3 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL8931565 0.90 PTPN1 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL1903069 0.89 DUSP3 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL1903070 0.89 DUSP3 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL1903068 0.89 DUSP3 (1.00) DUSP3DNMT1PTPN1PTPRCDUSP1
SCHEMBL7859598 0.88 DUSP3 (0.90) DUSP3DNMT1PTPN1PTPRCDUSP1

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-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US 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
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP DUSP3 56/4885DNMT1 3552/4885PTPN1 15/4885
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 DUSP3 2075/4885DNMT1 4881/4885PTPN1 2099/4885

“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.