SCHEMBL7521804

SCHEMBL7521804

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCN(C(=O)O)C2CNC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.37
CXCR2 P25025 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ABCB1 P08183 1/20 0.35
PDE4D Q08499 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SYK P43405 1/20 0.34
RORC P51449 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 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
SCHEMBL7519830 0.86 ADORA1 (0.43) NT5EABCB1KMT2ASYK
SCHEMBL7529881 0.82 NT5E (0.39) NT5ECXCR2L3MBTL1ABCB1PDE4D
SCHEMBL7519817 0.81 ADORA1 (0.42) ABCB1KMT2ASYK
SCHEMBL5770835 0.74 NT5E (0.41) NT5ECXCR2KMT2A
SCHEMBL7211425 0.74 L3MBTL1 (0.39) NT5EL3MBTL1KMT2ANPSR1
SCHEMBL5837674 0.73 PTPN2 (0.37) NT5ECXCR2L3MBTL1
SCHEMBL5838518 0.72 CXCR2 (0.36) NT5ECXCR2L3MBTL1KMT2A
SCHEMBL5769823 0.69 PTPN1 (0.46) CXCR2
SCHEMBL7520724 0.69 ADORA1 (0.45) ABCB1KMT2ASYK
SCHEMBL5838317 0.69 CXCR2 (0.33) NT5ECXCR2KMT2A

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 825/4885CXCR2 739/4885L3MBTL1 3145/4885

“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.