SCHEMBL2271563

SCHEMBL2271563

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
KIF11 P52732 5/20 0.46
ALDH1A1 P00352 1/20 0.45
FFAR1 O14842 3/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
HSD11B1 P28845 1/20 0.44
PTPN5 P54829 2/20 0.44
GCGR P47871 1/20 0.41
FAAH O00519 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL2271567 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271560 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29861042 0.85 CTSS (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272791 0.82 PDE2A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272784 0.82 PDE2A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272787 0.82 PDE2A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9951577 0.82 GCGR (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2271994 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2276059 0.80 PTPN5 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2276063 0.80 PTPN5 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A

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 2 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

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 PSEN1 3045/4885PSEN2 3107/4885APH1B 2393/4885

“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.