SCHEMBL7519646

SCHEMBL7519646

COc1ccc(CN2Cc3sc(NC(=O)C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)c3CC2CNC(=O)c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.42
PTPN1 P18031 3/20 0.38
PTPN2 P17706 2/20 0.38
CXCR2 P25025 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL7523468 0.89 NT5E (0.37) NT5EDRD2DRD3SGMS2MEN1
SCHEMBL7521561 0.89 NT5E (0.43) NT5EPTPN1CXCR2TP53TDP1
SCHEMBL7520923 0.82 THRB (0.40) NT5EPTPN1CXCR2TP53MEN1
SCHEMBL5838298 0.77 KDM4E (0.40) NT5EPTPN1PTPN2CXCR2TP53
SCHEMBL5838160 0.77 ALDH1A1 (0.43) NT5ETP53MEN1KMT2A
SCHEMBL7521067 0.77 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL7524872 0.77 MAPT (0.42) NT5EMEN1KMT2A
SCHEMBL5837805 0.76 NT5E (0.41) NT5EPTPN1CXCR2TP53
SCHEMBL5837927 0.76 NT5E (0.40) NT5EPTPN1PTPN2CXCR2TP53
SCHEMBL5837754 0.76 AKR1C2 (0.36) NT5EPTPN1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-07-25 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-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPN1, PTPRO, PTPRS NT5E 825/4885PTPN1 1/4885PTPN2 14/4885

“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.