SCHEMBL6316776

SCHEMBL6316776

CC(C)(C)OC(=O)c1c(N)sc2c1CC(C(=O)N1CC3=C(CCCC3)C1=O)OC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.36
MAPT P10636 7/20 0.33
ALDH1A1 P00352 7/20 0.33
HPGD P15428 5/20 0.33
ALOX15 P16050 4/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ANO1 Q5XXA6 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
SCHEMBL6322067 0.85 CXCR2 (0.36) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5838372 0.80 GRM6 (0.37) ADORA1MAPTALDH1A1HPGDKDM4E
SCHEMBL6316465 0.78 KDM4E (0.34) ADORA1MAPTALDH1A1KDM4EGAA
SCHEMBL5838598 0.77 ALDH1A1 (0.41) ADORA1MAPTALDH1A1HPGDALOX15
SCHEMBL5837610 0.77 MAPT (0.33) ADORA1MAPTALDH1A1KDM4EGAA
SCHEMBL5838694 0.77 GRM6 (0.33) ADORA1MAPTALDH1A1KDM4EMEN1
SCHEMBL6316763 0.76 ALDH1A1 (0.39) ADORA1MAPTALDH1A1HPGDALOX15
SCHEMBL6316682 0.75 GRM6 (0.40) ADORA1MAPTALDH1A1HPGDKDM4E
SCHEMBL5838665 0.75 ADORA1 (0.33) ADORA1MAPTKDM4E
SCHEMBL5837781 0.75 GABRA1 (0.37) ADORA1MAPTKDM4E

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 ADORA1 4588/4885MAPT 475/4885ALDH1A1 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.