SCHEMBL2652858

SCHEMBL2652858

O=C(O)CCNC(=O)c1ccc(C(NC(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
GCGR P47871 7/20 0.41
GIPR P48546 2/20 0.41
CYP2D6 P10635 1/20 0.36
DHODH Q02127 1/20 0.35
GCG P01275 6/20 0.35
HDAC3 O15379 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DEGS1 O15121 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
GLP1R P43220 1/20 0.33

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
SCHEMBL2651767 0.89 GCGR (0.53) EPHX2GCGRGIPRHDAC3HDAC11
SCHEMBL2651764 0.89 GCGR (0.53) EPHX2GCGRGIPRHDAC3HDAC11
SCHEMBL2665203 0.86 GCGR (0.48) EPHX2GCGRGIPRCYP2D6
SCHEMBL6752248 0.85 GCG (0.41) GCGRGIPRGCGEGLN2EGLN1
SCHEMBL2651396 0.84 GCGR (0.59) GCGRGIPRGLP1R
SCHEMBL9071032 0.82 GCGR (0.63) GCGRGIPRGLP1R
SCHEMBL4086114 0.82 GCGR (0.40) EPHX2GCGRGIPRHDAC3HDAC11
SCHEMBL2665060 0.81 GCGR (0.37) EPHX2GCGRGIPRCYP2D6DHODH
SCHEMBL2653167 0.80 GCGR (0.46) EPHX2GCGRGIPRCYP2D6GCG
SCHEMBL2652649 0.80 GCGR (0.50) EPHX2GCGRGIPRCYP2D6GCG

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 7 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
US-20040127560-A1 Glucagon antagonists/inverse agonists MADSEN PETER (DK) 2004-07-01 US disclosed
US-6706744-B2 HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2004-03-16 US disclosed
US-20030065031-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-04-03 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-20040127560-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR EPHX2 2973/4885GCGR 3/4885GIPR 4/4885
US-20030065031-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR EPHX2 2973/4885GCGR 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.