SCHEMBL2275455

SCHEMBL2275455

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.51
KIF11 P52732 5/20 0.50
PTPN5 P54829 2/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
FFAR1 O14842 3/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL2275451 1.00 PDE2A (0.51) PDE2AKIF11PTPN5CES2CES1
SCHEMBL2275457 1.00 PDE2A (0.51) PDE2AKIF11PTPN5CES2CES1
SCHEMBL9668161 0.94 PDE2A (0.56) PDE2AKIF11PTPN5CES2CES1
Ammonia Solution, Strong SCHEMBL9789504 0.92 PDE2A (0.55) PDE2AKIF11PTPN5CES2CES1
SCHEMBL2276065 0.84 PTPN5 (0.64) PDE2AKIF11PTPN5CES2CES1
SCHEMBL2276063 0.84 PTPN5 (0.64) PDE2AKIF11PTPN5CES2CES1
SCHEMBL2276059 0.84 PTPN5 (0.64) PDE2AKIF11PTPN5CES2CES1
SCHEMBL29861025 0.83 CYP3A4 (0.46) CYP17A1CYP2C9CYP2C19
SCHEMBL5698990 0.82 CES2 (0.48) PDE2AKIF11PTPN5CES2CES1
SCHEMBL29400701 0.81 CES2 (0.55) PDE2AKIF11CES2CES1

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 3 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

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 PDE2A 386/4885KIF11 3904/4885PTPN5 366/4885

“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.