SCHEMBL4132741

SCHEMBL4132741

CNC(=O)c1sc2cc(C)nc(Cl)c2c1OCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL4133220 0.86 KDM4E (0.35) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL1062649 0.77 ALDH1A1 (0.40) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL13926055 0.76 GAA (0.39) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL4132520 0.74 KDM4E (0.36) KDM4EHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL1061759 0.74 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL4118791 0.67 PTPN1 (0.47) KDM4EPKMHTTMCL1
SCHEMBL1061390 0.66 TRPM8 (0.47) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL12962797 0.64 L3MBTL1 (0.33) KDM4EALDH1A1MAPTKMT2AMAPK1
SCHEMBL4121089 0.62 PTPN1 (0.44) KMT2A
SCHEMBL3192663 0.61 PTPN1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885PKM 2457/4885HTT 2323/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885PKM 2457/4885HTT 2323/4885

“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.