SCHEMBL2651889

SCHEMBL2651889

O=C(O)CCNC(=O)c1ccc(C(NC(=O)Nc2nc3ccc(SC(F)(F)F)cc3s2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.42
GIPR P48546 2/20 0.41
PKM P14618 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
CSNK1D P48730 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GCG P01275 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PPARD Q03181 1/20 0.36

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
SCHEMBL2651688 0.94 GCGR (0.42) GCGRGIPRPKMPCSK9GCG
SCHEMBL2653699 0.88 GCGR (0.52) GCGRGIPRPKMDYRK1A
SCHEMBL2665013 0.87 GCGR (0.44) GCGRGIPRPKM
SCHEMBL2651825 0.86 GCG (0.43) GCGRGIPRCSNK1DGCGDYRK1A
SCHEMBL2651465 0.85 GCGR (0.41) GCGRGIPRPKMCSNK1DGCG
SCHEMBL2652373 0.85 GCGR (0.43) GCGRGIPRPCSK9DYRK1ADYRK1B
SCHEMBL2651352 0.85 PKM (0.40) GCGRGIPRPKMPCSK9ALDH1A1
SCHEMBL6748278 0.85 GCGR (0.41) GCGRGIPRPKMCSNK1DGCG
SCHEMBL4087091 0.84 GCGR (0.52) GCGRGIPRGCGPPARD
SCHEMBL2651881 0.84 GCGR (0.61) GCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127560-A1 Glucagon antagonists/inverse agonists MADSEN PETER (DK) 2004-07-01 US claimed
US-6706744-B2 HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2004-03-16 US claimed
US-20030065031-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-04-03 US claimed
WO-2002040444-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 WO claimed

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-20040127560-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GIPR 4/4885PKM 3005/4885
US-20030065031-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GIPR 4/4885PKM 3005/4885

“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.