SCHEMBL5837586

SCHEMBL5837586

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CN)OC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
ALDH1A1 P00352 12/20 0.40
GAA P10253 7/20 0.40
MAPT P10636 10/20 0.40
HPGD P15428 7/20 0.40
KDM4E B2RXH2 5/20 0.40
ALOX15 P16050 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GRM6 O15303 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
ANO1 Q5XXA6 1/20 0.36
CISD2 Q8N5K1 1/20 0.34
CXCR2 P25025 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5838030 0.90 ADORA1 (0.41) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL15832909 0.84 ALDH1A1 (0.42) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL5837689 0.83 ALDH1A1 (0.39) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL5838142 0.82 ADORA1 (0.38) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL5838598 0.82 ALDH1A1 (0.41) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL7482762 0.82 ALDH1A1 (0.41) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL5838393 0.81 CXCR2 (0.41) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL6316717 0.81 GRM6 (0.43) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL6316763 0.80 ALDH1A1 (0.39) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL5838365 0.79 CYP1A2 (0.40) ADORA1ALDH1A1GAAMAPTHPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
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
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO 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 4588/4885ALDH1A1 3737/4885GAA 282/4885

“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.