SCHEMBL6316671

SCHEMBL6316671

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CN1Cc3ccccc3C1=O)OC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ADORA1 P30542 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
BDKRB1 P46663 1/20 0.33
CXCR2 P25025 1/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
POLB P06746 2/20 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
SCHEMBL7860310 0.87 KDM4E (0.41) PARP1ADORA1KDM4EALOX15TSHR
SCHEMBL5838365 0.87 CYP1A2 (0.40) GRM6MEN1KMT2AADORA1KDM4E
SCHEMBL5839237 0.82 ADORA1 (0.41) GRM6MEN1KMT2AADORA1KDM4E
SCHEMBL6050008 0.82 ADORA1 (0.41) GRM6MEN1KMT2AADORA1KDM4E
SCHEMBL5838372 0.82 GRM6 (0.37) GRM6MEN1KMT2AADORA1KDM4E
SCHEMBL5838395 0.80 GRM6 (0.36) GRM6MEN1KMT2AADORA1KDM4E
SCHEMBL5838682 0.79 HPGD (0.33) GRM6MEN1KMT2AADORA1KDM4E
SCHEMBL5837601 0.79 MEN1 (0.35) GRM6MEN1KMT2AADORA1MAPT
SCHEMBL5838384 0.79 ALDH1A1 (0.35) GRM6KMT2AADORA1KDM4ETSHR
SCHEMBL5838142 0.79 ADORA1 (0.38) GRM6MEN1KMT2AADORA1KDM4E

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 1039/4885PARP1 4178/4885MEN1 3307/4885

“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.