SCHEMBL5773593

SCHEMBL5773593

COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CNC(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
NT5E P21589 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ADORA1 P30542 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL5771466 0.90 KDM4E (0.41) MAPTKDM4ESMN1; SMN2LMNAOPRM1
SCHEMBL5770835 0.88 NT5E (0.41) MAPTKDM4EPKMSMN1; SMN2LMNA
SCHEMBL5768831 0.87 CHRM1 (0.41)
SCHEMBL7520515 0.85 KDM4E (0.46) MAPTKDM4ELMNAOPRM1OPRK1
SCHEMBL5766921 0.85 KDM4E (0.44) MAPTKDM4ELMNAOPRM1OPRK1
SCHEMBL5838460 0.83 KDM4E (0.42) MAPTKDM4EKMT2AMEN1HSD17B10
SCHEMBL5771550 0.82 CASP3 (0.39) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL7524872 0.82 MAPT (0.42) MAPTKDM4EPKMSMN1; SMN2LMNA
SCHEMBL5838731 0.81 ADORA1 (0.48) MAPTKDM4ELMNANT5EKMT2A
SCHEMBL5837593 0.81 KDM4E (0.37) MAPTKDM4ESMN1; SMN2LMNANT5E

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
EP-1301516-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK AS (DK) 2006-03-22 EP disclosed
US-6613903-B2 Such as 7-(benzoylamino-methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno(2,3 -c)pyridine-3-carboxylic acid for treatment of diabetes, insulin resistance, and obesity NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1301516-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed
US-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-10-17 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-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) PTPRO, PTPN1, PTPRS MAPT 4142/4885KDM4E 890/4885PKM 1719/4885

“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.