SCHEMBL6402811

SCHEMBL6402811

CC(C)(C)OC(=O)c1c(NC(=O)OCC2c3ccccc3-c3ccccc32)sc2c1CC(CN1C(=O)c3ccccc3C1=O)OC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.39
TSPO P30536 1/20 0.37
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
PTPN1 P18031 1/20 0.35
EPHX2 P34913 1/20 0.35
HPGD P15428 1/20 0.34
RAB7A P51149 2/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL6316890 0.90 PTPN1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL6402815 0.82 CXCR2 (0.37) CXCR2TSPOALDH1A1LMNAMAPT
SCHEMBL5837378 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7681582 0.74 EPHX2 (0.38) ALDH1A1PTPN1EPHX2
SCHEMBL6207147 0.73 PTPN1 (0.51) PTPN1RAB7A
SCHEMBL5838538 0.73 CXCR2 (0.37) CXCR2TSPOALDH1A1LMNAMAPT
SCHEMBL5837758 0.72 CXCR2 (0.42) CXCR2TSPOALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6049951 0.72 CXCR2 (0.41) CXCR2TSPOALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5837753 0.72 CXCR2 (0.41) CXCR2TSPOALDH1A1LMNAMAPT
SCHEMBL6316896 0.71 RAB7A (0.37) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1

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 661/4885TSPO 1313/4885ALDH1A1 3737/4885

“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.