SCHEMBL4085713

SCHEMBL4085713

COc1ccc(CN(Cc2ccc(C(=O)NCCC(=O)O)cc2)Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.49
PPARD Q03181 5/20 0.48
PPARA Q07869 5/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPARG P37231 4/20 0.47
RAB9A P51151 2/20 0.45
NR2F2 P24468 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GCGR P47871 1/20 0.44
OPRM1 P35372 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL2662005 0.77 GAA (0.54) RAB9ALMNASMN1; SMN2GCGROPRM1
SCHEMBL2650667 0.76 LSS (0.58) MAPK14PPARDPPARAGCGRTMEM97
SCHEMBL28063257 0.73 MAPT (0.64) KDM4ETDP1RAB9ALMNASMN1; SMN2
SCHEMBL7115429 0.70 GAA (0.70) RAB9ALMNASMN1; SMN2NPC1
SCHEMBL3199273 0.70 POLB (0.80) RAB9ASMN1; SMN2NPC1
SCHEMBL2663011 0.70 CXCR3 (0.53) RAB9ASMN1; SMN2GCGRTMEM97SIGMAR1
SCHEMBL2663137 0.69 ACHE (0.54) MAPK14RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL14065876 0.69 PTGES (0.48) MAPK14PPARDPPARAPPARG
SCHEMBL6503460 0.69 SIGMAR1 (0.52) OPRM1TMEM97SIGMAR1
SCHEMBL5704407 0.68 PPARA (0.61) PPARDPPARAKDM4EPPARGRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (3 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR MAPK14 1054/4885PPARD 109/4885PPARA 128/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR MAPK14 1054/4885PPARD 109/4885PPARA 128/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR MAPK14 1054/4885PPARD 109/4885PPARA 128/4885

“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.