SCHEMBL8931579

SCHEMBL8931579

CN1C(=O)C(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 7/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
CCR6 P51684 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
DNMT1 P26358 1/20 0.41
HSD17B3 P37058 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPRC P08575 2/20 0.37
PTPN1 P18031 2/20 0.37
DUSP1 P28562 2/20 0.37

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
SCHEMBL4551869 0.72 PIM1 (0.63) DUSP3KMT2AMEN1TDP1POLB
SCHEMBL4551871 0.72 PIM1 (0.63) DUSP3KMT2AMEN1TDP1POLB
SCHEMBL4551870 0.72 PIM1 (0.63) DUSP3KMT2AMEN1TDP1POLB
SCHEMBL8931538 0.70 DUSP3 (0.48) DUSP3KMT2AMEN1POLBDNMT1
SCHEMBL13170324 0.70 DUSP3 (0.48) DUSP3KMT2AMEN1POLBDNMT1
SCHEMBL8931582 0.67 MEN1 (0.51) DUSP3KMT2AMEN1TDP1POLB
SCHEMBL4416909 0.67 PPARG (0.72) DUSP3KMT2APOLBUSP2DNMT1
SCHEMBL4416907 0.67 PPARG (0.72) DUSP3KMT2APOLBUSP2DNMT1
SCHEMBL6797635 0.66 ALDH1A1 (0.45) DUSP3KMT2AMEN1POLBMCL1
SCHEMBL6797642 0.66 ALDH1A1 (0.45) DUSP3KMT2AMEN1POLBMCL1

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-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 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
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 (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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP DUSP3 56/4885KMT2A 2032/4885MEN1 4459/4885

“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.