SCHEMBL2269669

SCHEMBL2269669

COC(=O)c1ccc(C(=O)c2ccc(OC)c(Br)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.81
CYP1A2 P05177 5/20 0.74
CYP2C19 P33261 5/20 0.74
CYP2D6 P10635 1/20 0.74
HPGD P15428 1/20 0.74
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 2/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 6/20 0.51
KMT2A Q03164 4/20 0.50
ALOX12 P18054 2/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.49

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
SCHEMBL29810107 0.90 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL36283 0.90 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL27630437 0.90 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL15947114 0.87 ALDH1A1 (0.86) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL31516304 0.87 ALDH1A1 (0.86) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL25304403 0.85 ALDH1A1 (0.83) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL31061882 0.85 ALDH1A1 (0.83) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL30509286 0.85 ALDH1A1 (0.83) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL1818634 0.85 CYP1A2 (1.00) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL15948918 0.85 ALDH1A1 (0.83) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD

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-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US disclosed
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR ALDH1A1 2897/4885CYP1A2 2107/4885CYP2C19 1471/4885

“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.