Sugi Predict

Sugi Predict / Compounds / SCHEMBL4081619

SCHEMBL4081619

SCHEMBL4081619

CCC(C)c1ccc(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.43
▸ GCGR P47871 10/20 0.40
▸ GIPR P48546 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C8 P10632 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4086760 0.91 GCGR (0.45) PTGDR2GCGRGIPRCYP2C8CYP2C19
SCHEMBL4085611 0.89 KDM4E (0.43) PTGDR2GCGRGIPR
SCHEMBL4091971 0.88 GCGR (0.51) PTGDR2GCGRGIPRMEN1ALDH1A1
SCHEMBL4096573 0.85 GCGR (0.57) GCGRGIPR
SCHEMBL4091299 0.84 GCGR (0.52) PTGDR2GCGRGIPR
SCHEMBL4085171 0.84 GCGR (0.55) PTGDR2GCGRGIPRCYP2C8CYP2C19
SCHEMBL29714893 0.84 GCGR (0.55) PTGDR2GCGRGIPRCYP2C8CYP2C19
SCHEMBL4092081 0.84 GCGR (0.51) GCGRGIPRMEN1ALDH1A1KMT2A
SCHEMBL13800015 0.83 GCGR (0.45) GCGRGIPR
SCHEMBL4081625 0.83 ALDH1A1 (0.43) GCGRGIPRMEN1ALDH1A1KMT2A

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 8 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

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 PTGDR2 451/4885GCGR 3/4885GIPR 4/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR PTGDR2 451/4885GCGR 3/4885GIPR 4/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR PTGDR2 451/4885GCGR 3/4885GIPR 4/4885

“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.