SCHEMBL6316682

SCHEMBL6316682

CC(C)(C)OC(=O)c1c(N)sc2c1CC(C(=O)N1Cc3ccccc3C1)OC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.40
ADORA1 P30542 6/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CXCR2 P25025 5/20 0.36
NAMPT P43490 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
TSPO P30536 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL7860317 0.86 ADORA1 (0.42) ADORA1MAPTKDM4ENAMPTLMNA
SCHEMBL5838372 0.85 GRM6 (0.37) GRM6ADORA1MAPTKDM4ECXCR2
SCHEMBL6315579 0.83 CXCR2 (0.44) MAPTKDM4ECXCR2NAMPTLMNA
SCHEMBL5838598 0.81 ALDH1A1 (0.41) GRM6ADORA1MAPTKDM4ECXCR2
SCHEMBL5838694 0.81 GRM6 (0.33) GRM6ADORA1MAPTKDM4ECXCR2
SCHEMBL5837610 0.81 MAPT (0.33) GRM6ADORA1MAPTKDM4ECXCR2
SCHEMBL5839242 0.80 GRM6 (0.43) GRM6ADORA1MAPTKDM4ECXCR2
SCHEMBL5838367 0.79 CXCR2 (0.48) GRM6ADORA1MAPTCXCR2GAA
SCHEMBL5838665 0.78 ADORA1 (0.33) GRM6ADORA1MAPTKDM4E
SCHEMBL5838406 0.78 GRM6 (0.40) GRM6ADORA1MAPTKDM4ECXCR2

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 GRM6 1039/4885ADORA1 4588/4885MAPT 475/4885

“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.