SCHEMBL5771466

SCHEMBL5771466

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
ADORA1 P30542 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NT5E P21589 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OGA O60502 4/20 0.35
ACACB O00763 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5773593 0.90 MAPT (0.40) KDM4EMAPTOPRM1OPRK1ADORA1
SCHEMBL5766921 0.89 KDM4E (0.44) KDM4EMAPTOPRM1OPRK1ADORA1
SCHEMBL7520515 0.89 KDM4E (0.46) KDM4EMAPTOPRM1OPRK1ADORA1
SCHEMBL5772238 0.87 NT5E (0.39) KDM4EMAPTOPRM1OPRK1NT5E
SCHEMBL5837593 0.83 KDM4E (0.37) KDM4EMAPTADORA1MEN1KMT2A
SCHEMBL5768831 0.83 CHRM1 (0.41)
SCHEMBL5771550 0.82 CASP3 (0.39) KDM4EMAPTADORA1MEN1KMT2A
SCHEMBL5771437 0.81 KDM4E (0.39) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5838460 0.81 KDM4E (0.42) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7515584 0.80 ADORA1 (0.43) KDM4EMAPTADORA1MEN1KMT2A

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 3 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
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 KDM4E 890/4885MAPT 4142/4885OPRM1 3691/4885

“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.