SCHEMBL6314950

SCHEMBL6314950

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(COC(=O)c1ccccc1)OC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.46
RAB7A P51149 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSPO P30536 1/20 0.41
PTPN1 P18031 1/20 0.41
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CXCR4 P61073 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL6315895 0.87 RAB7A (0.47) CXCR2RAB7AALDH1A1MAPTSMN1; SMN2
SCHEMBL6204620 0.83 PTPN1 (0.53) RAB7AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6316717 0.83 GRM6 (0.43) CXCR2RAB7AALDH1A1MAPTLMNA
SCHEMBL5838393 0.82 CXCR2 (0.41) CXCR2RAB7AALDH1A1MAPTSMN1; SMN2
SCHEMBL5838158 0.79 CXCR2 (0.54) CXCR2RAB7AALDH1A1MAPTSMN1; SMN2
SCHEMBL5837398 0.78 CXCR2 (0.37) CXCR2RAB7AALDH1A1MAPTSMN1; SMN2
SCHEMBL5837643 0.77 CXCR2 (0.42) CXCR2RAB7AALDH1A1MAPTSMN1; SMN2
SCHEMBL5837378 0.77 ALDH1A1 (0.44) ALDH1A1
SCHEMBL6314795 0.77 RAB7A (0.43) CXCR2RAB7AALDH1A1MAPTSMN1; SMN2
SCHEMBL6315579 0.75 CXCR2 (0.44) CXCR2RAB7AALDH1A1MAPTSMN1; SMN2

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 661/4885RAB7A 3644/4885ALDH1A1 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.