SCHEMBL4086877

SCHEMBL4086877

CC(C)(C)c1ccc(C(NC(=O)Nc2ccc(OC(F)(F)F)c(S(C)(=O)=O)c2)c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.49
ADCY6 O43306 1/20 0.49
ADCY3 O60266 1/20 0.49
ADCY9 O60503 1/20 0.49
ADCY5 O95622 1/20 0.49
ADCY8 P40145 1/20 0.49
ADCY7 P51828 1/20 0.49
ADCY2 Q08462 1/20 0.49
ADCY1 Q08828 1/20 0.49
ADCY4 Q8NFM4 1/20 0.49
GIPR P48546 4/20 0.44
TRPV1 Q8NER1 1/20 0.39
GLP1R P43220 1/20 0.39

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
SCHEMBL4082222 0.91 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4092634 0.89 GCGR (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4091679 0.87 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4091185 0.85 GCGR (0.58) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4081222 0.83 GCGR (0.49) GCGRGIPRGLP1R
SCHEMBL4091978 0.82 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4086870 0.81 GCGR (0.55) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4086516 0.81 GCGR (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4085596 0.80 GCGR (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4085777 0.79 MCHR1 (0.45) GCGRADCY6ADCY3ADCY9ADCY5

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-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

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 GCGR 3/4885ADCY6 956/4885ADCY3 423/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR GCGR 3/4885ADCY6 956/4885ADCY3 423/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885ADCY6 956/4885ADCY3 423/4885

“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.