SCHEMBL6316939

SCHEMBL6316939

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2C(=O)N1Cc2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.39
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRB P23467 1/20 0.37
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ALDH1A1 P00352 5/20 0.32
HPGD P15428 5/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NT5E P21589 1/20 0.32
CXCR4 P61073 1/20 0.32
TSPO P30536 1/20 0.32
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5838343 0.88 CXCR2 (0.38) CXCR2PTPN2PTPN1PTPRBPLA2G1B
SCHEMBL5837821 0.87 CXCR2 (0.42) CXCR2PTPN2PTPN1PTPRBPLA2G1B
SCHEMBL5838078 0.85 GRM6 (0.36) CXCR2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5837976 0.84 CXCR2 (0.33) CXCR2PTPN2PTPN1PTPRBNT5E
SCHEMBL5838518 0.83 CXCR2 (0.36) CXCR2PTPN2PTPN1PTPRBPLA2G1B
SCHEMBL6314287 0.82 CXCR2 (0.41) CXCR2PTPN1PLA2G1BATG4BALDH1A1
SCHEMBL5838449 0.78 CXCR2 (0.39) CXCR2PLA2G1BATG4BALDH1A1HPGD
SCHEMBL5838009 0.77 CXCR2 (0.43) CXCR2PTPN2PTPN1PTPRBALDH1A1
SCHEMBL6322122 0.76 RAB7A (0.42) CXCR2PTPN2PTPN1PLA2G1BATG4B
SCHEMBL5837094 0.75 NT5E (0.40) CXCR2PTPN1PLA2G1BATG4BALDH1A1

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 6 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
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO 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 661/4885PTPN2 9/4885PTPN1 7/4885

“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.