SCHEMBL6402815

SCHEMBL6402815

CC(C)(C)OC(=O)c1c(NC(=O)OCC2c3ccccc3-c3ccccc32)sc2c1CC(C(=O)N1Cc3ccccc3C1=O)OC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.37
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSPO P30536 1/20 0.35
EPHX2 P34913 1/20 0.33
HPGD P15428 2/20 0.33
NT5E P21589 1/20 0.32
RAB7A P51149 1/20 0.32

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
SCHEMBL6316896 0.91 RAB7A (0.37) PLA2G1BATG4BALDH1A1LMNAMAPT
SCHEMBL6314287 0.85 CXCR2 (0.41) CXCR2PLA2G1BATG4BALDH1A1LMNA
SCHEMBL6402811 0.82 CXCR2 (0.39) CXCR2PLA2G1BATG4BALDH1A1LMNA
SCHEMBL5838372 0.80 GRM6 (0.37) CXCR2PLA2G1BATG4BALDH1A1LMNA
SCHEMBL6322122 0.79 RAB7A (0.42) CXCR2PLA2G1BATG4BALDH1A1LMNA
SCHEMBL5838257 0.77 CXCR2 (0.39) CXCR2PLA2G1BATG4BALDH1A1LMNA
SCHEMBL5836667 0.76 CXCR2 (0.36) CXCR2PLA2G1BATG4BALDH1A1LMNA
SCHEMBL5838623 0.74 CXCR2 (0.38) CXCR2PLA2G1BATG4BALDH1A1LMNA
SCHEMBL5838339 0.74 NT5E (0.37) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838560 0.74 CXCR2 (0.37) CXCR2PLA2G1BATG4BALDH1A1LMNA

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
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA CXCR2 661/4885PLA2G1B 1707/4885ATG4B 4269/4885

“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.