SCHEMBL4086535

SCHEMBL4086535

CC1(C)C2CCC(CC(NC(=O)Nc3cccc(SC(F)(F)F)c3)c3ccc(C(=O)NCCC(=O)O)cc3)C1C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.38
EPHX2 P34913 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
GCG P01275 8/20 0.36
HDAC8 Q9BY41 1/20 0.36
GLP1R P43220 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL4091808 0.83 GCGR (0.49) GCGRGLP1R
SCHEMBL4086530 0.81 GCGR (0.49) GCGRGLP1RHDAC6
SCHEMBL13799914 0.81 GCGR (0.49) GCGRGLP1RHDAC6
SCHEMBL4092841 0.77 GCGR (0.46) GCGRGCGGLP1R
SCHEMBL4095200 0.76 GCGR (0.48) GCGREPHX2UBE2MDCUN1D1GCG
SCHEMBL4091190 0.75 TRPV1 (0.43) GCGREPHX2UBE2MDCUN1D1GCG
SCHEMBL4087375 0.74 AURKA (0.40) GCGREPHX2GCGGLP1R
SCHEMBL4082084 0.71 IDH1 (0.42) EPHX2ITGB3
SCHEMBL6191930 0.70 SLC6A3 (0.43) EPHX2HDAC8HDAC6
SCHEMBL2665190 0.68 GCGR (0.56) GCGR

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 5 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
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-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US 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 (2 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 GCGR 3/4885EPHX2 3463/4885UBE2M 4466/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR GCGR 3/4885EPHX2 3463/4885UBE2M 4466/4885

“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.