SCHEMBL2657513

SCHEMBL2657513

CCC(CC)(COc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(=O)OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GCGR P47871 2/20 0.39
NOTUM Q6P988 1/20 0.38
EGFR P00533 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARD Q03181 4/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2655712 0.88 LMNA (0.40) LMNAGCGREGFRMRGPRX4PPARD
SCHEMBL2655653 0.87 LMNA (0.44) LMNAGCGREGFRMRGPRX4PPARD
SCHEMBL2656272 0.84 GCGR (0.55) GCGRPPARD
SCHEMBL2655237 0.83 L3MBTL1 (0.44) NPC1PPARDMAPTGAAPPARA
SCHEMBL2655395 0.82 GCGR (0.41) LMNAGCGREGFRMRGPRX4SMN1; SMN2
SCHEMBL5119133 0.79 GCGR (0.44) LMNAGCGRPPARDRPS6KB1ALDH1A1
SCHEMBL2657514 0.77 GCGR (0.41) LMNAGCGRMRGPRX4PPARDRPS6KB1
SCHEMBL3040148 0.77 PPARD (0.42) GCGRMRGPRX4PPARDPPARA
SCHEMBL2656365 0.77 GCGR (0.40) LMNAGCGRMRGPRX4SMN1; SMN2PPARD
SCHEMBL2656372 0.77 LMNA (0.39) LMNAGCGREGFRMRGPRX4SMN1; SMN2

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-8076374-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; 3-{4-[1-Allyl-1-(4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoylamino}-propionic acid; ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
EP-1951659-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-07-14 EP disclosed
US-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-25 US disclosed
EP-1951659-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-06 EP disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 WO 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 (1 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-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR LMNA 3722/4885GCGR 2/4885NOTUM 3860/4885

“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.