SCHEMBL2271672

SCHEMBL2271672

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.46
FFAR1 O14842 3/20 0.44
HSD11B1 P28845 1/20 0.44
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
PDE2A O00408 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PTPN5 P54829 1/20 0.41
SLC6A4 P31645 1/20 0.40
TRPV3 Q8NET8 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
SCHEMBL2271667 1.00 KIF11 (0.46) KIF11FFAR1HSD11B1PSEN1PSEN2
SCHEMBL2271676 1.00 KIF11 (0.46) KIF11FFAR1HSD11B1PSEN1PSEN2
SCHEMBL2763340 0.95 HSD11B1 (0.47) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL906186 0.95 HSD11B1 (0.47) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL2269512 0.92 KIF11 (0.44) KIF11FFAR1HSD11B1PSEN1PSEN2
SCHEMBL2269518 0.92 KIF11 (0.44) KIF11FFAR1HSD11B1PSEN1PSEN2
SCHEMBL2269523 0.92 KIF11 (0.44) KIF11FFAR1HSD11B1PSEN1PSEN2
SCHEMBL2268729 0.90 KIF11 (0.43) KIF11FFAR1HSD11B1PSEN1PSEN2
SCHEMBL2268737 0.90 KIF11 (0.43) KIF11FFAR1HSD11B1PSEN1PSEN2
SCHEMBL2268734 0.90 KIF11 (0.43) KIF11FFAR1HSD11B1PSEN1PSEN2

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 KIF11 3904/4885FFAR1 68/4885HSD11B1 878/4885

“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.