SCHEMBL2346540

SCHEMBL2346540

CC[C@H](Oc1ccc(C(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
PPARD Q03181 3/20 0.45
PPARA Q07869 1/20 0.43
GCG P01275 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALKBH1 Q13686 1/20 0.41
MAP4K4 O95819 1/20 0.41
SLC6A9 P48067 1/20 0.41
CYP2C8 P10632 1/20 0.40
PTPN11 Q06124 1/20 0.40
FFAR1 O14842 2/20 0.40
PPARG P37231 1/20 0.40
PTGER4 P35408 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL2275079 1.00 GCGR (0.48) GCGRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2271857 0.89 GCGR (0.44) GCGRSMN1; SMN2TP53PPARDGCG
SCHEMBL2353959 0.88 NPC1 (0.47) GCGRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2270559 0.88 NPC1 (0.47) GCGRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2272674 0.88 GCGR (0.47) GCGRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2273900 0.87 GCGR (0.66) GCGRGCG
SCHEMBL2271939 0.87 GCGR (0.66) GCGRGCG
SCHEMBL18863547 0.87 GCGR (0.66) GCGRGCG
SCHEMBL2277391 0.87 GCGR (0.52) GCGRNPC1RAB9ATP53PPARD
SCHEMBL1765551 0.87 GCGR (0.52) GCGRNPC1RAB9ATP53PPARD

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
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
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 GCGR 2/4885NPC1 2621/4885RAB9A 1889/4885

“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.