SCHEMBL2654733

SCHEMBL2654733

COC(=O)CCNC(=O)c1ccc(C2(COc3cc(C)c(-c4ccc(C(F)(F)F)cc4)c(C)c3)CCCC2)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
GCGR P47871 1/20 0.36
MAPT P10636 2/20 0.35
APOB P04114 7/20 0.35
MTTP P55157 7/20 0.35
MCL1 Q07820 1/20 0.34
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCG P01275 2/20 0.33
SMO Q99835 4/20 0.32
POLB P06746 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
SCHEMBL2660167 0.93 GCGR (0.43) MAPK11MAPK14GCGRMCL1PPARA
SCHEMBL2653675 0.92 MAPK11 (0.37) MAPK11MAPK14GCGRMAPTAPOB
SCHEMBL2654346 0.85 GCGR (0.43) MAPK11MAPK14GCGRMCL1PPARA
SCHEMBL2666428 0.81 GCGR (0.40) GCGRMAPTAPOBMTTPMCL1
SCHEMBL2654978 0.80 MAPT (0.39) MAPK11MAPK14GCGRMAPTAPOB
SCHEMBL2654616 0.79 GCGR (0.40) MAPK11MAPK14GCGRMAPTAPOB
SCHEMBL2653931 0.79 HPGD (0.39) GCGRMAPTAPOBMTTPMCL1
SCHEMBL13267145 0.79 GCGR (0.43) GCGRMAPTAPOBMTTPPPARD
SCHEMBL2653083 0.79 HPGD (0.41) MAPK11MAPK14GCGRMAPTAPOB
SCHEMBL2653171 0.78 MCL1 (0.36) MAPK11MAPK14MAPTAPOBMTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
EP-1856090-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 EP disclosed
EP-1856090-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 EP disclosed
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 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-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR MAPK11 740/4885MAPK14 2179/4885GCGR 2/4885

“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.