SCHEMBL4082084

SCHEMBL4082084

CC1(C)C2CCC(CC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccc(OCCCC(=O)O)cc3)C1C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.42
EPHX2 P34913 7/20 0.41
ALDH1A1 P00352 2/20 0.39
CXCR3 P49682 1/20 0.39
PPARA Q07869 1/20 0.38
S1PR1 P21453 1/20 0.38
FPR2 P25090 1/20 0.38
HPGD P15428 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.36
FFAR1 O14842 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 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
SCHEMBL4091808 0.87 GCGR (0.49) IDH1
SCHEMBL6191930 0.87 SLC6A3 (0.43) EPHX2ALDH1A1
SCHEMBL13799932 0.79 GCGR (0.43) IDH1S1PR1
SCHEMBL4082080 0.79 GCGR (0.43) IDH1S1PR1
SCHEMBL4091912 0.73 GCGR (0.45) EPHX2ALDH1A1PPARAFPR2HPGD
SCHEMBL4085631 0.72 GCGR (0.48) EPHX2ALDH1A1PPARAFPR2HPGD
SCHEMBL4085527 0.72 FPR2 (0.48) EPHX2ALDH1A1PPARAFPR2HPGD
SCHEMBL4086535 0.71 GCGR (0.38) EPHX2ITGB3
SCHEMBL2663031 0.69 EPHX2 (0.61) EPHX2PPARAFFAR4FFAR1
SCHEMBL13799937 0.66 GSK3B (0.40) EPHX2ALDH1A1S1PR1

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-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 (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-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR IDH1 3972/4885EPHX2 3463/4885ALDH1A1 3968/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR IDH1 3972/4885EPHX2 3463/4885ALDH1A1 3968/4885

“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.