SCHEMBL4086528

SCHEMBL4086528

O=C(O)CCN1C(=O)c2ccc(CN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c3ccc4nc(S)sc4c3)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
EPHX2 P34913 9/20 0.37
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4095710 0.86 GCGR (0.43) ALDH1A1KDM4EHPGDHSD17B10EPHX2
SCHEMBL4098930 0.82 GCGR (0.48) HPGDSMN1; SMN2
SCHEMBL7080572 0.72 GCGR (0.44) EPHX2
SCHEMBL7161880 0.71 GCGR (0.55) EPHX2
SCHEMBL2867706 0.70 EPHX2 (0.42) EPHX2NPC1RAB9ALMNA
SCHEMBL2867427 0.69 EPHX2 (0.45) EPHX2
SCHEMBL4081246 0.68 GCGR (0.67)
SCHEMBL2663200 0.67 GCGR (0.43) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2864054 0.66 MAPT (0.44) EPHX2
SCHEMBL4095719 0.66 MAPT (0.40) ALDH1A1KDM4EHPGDHSD17B10NPC1

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 ALDH1A1 3968/4885KDM4E 3664/4885HPGD 1678/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885KDM4E 3664/4885HPGD 1678/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885KDM4E 3664/4885HPGD 1678/4885

“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.