SCHEMBL2277018

SCHEMBL2277018

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
FFAR1 O14842 3/20 0.42
HSD11B1 P28845 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
TLR8 Q9NR97 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PDE2A O00408 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2274452 1.00 KIF11 (0.42) KIF11FFAR1HSD11B1S1PR2S1PR1
SCHEMBL2277014 1.00 KIF11 (0.42) KIF11FFAR1HSD11B1S1PR2S1PR1
SCHEMBL2267312 1.00 KIF11 (0.42) KIF11FFAR1HSD11B1S1PR2S1PR1
SCHEMBL2274456 1.00 KIF11 (0.42) KIF11FFAR1HSD11B1S1PR2S1PR1
SCHEMBL2274458 1.00 KIF11 (0.42) KIF11FFAR1HSD11B1S1PR2S1PR1
SCHEMBL2268734 0.98 KIF11 (0.43) KIF11FFAR1HSD11B1S1PR2S1PR1
SCHEMBL2268729 0.98 KIF11 (0.43) KIF11FFAR1HSD11B1S1PR2S1PR1
SCHEMBL2268737 0.98 KIF11 (0.43) KIF11FFAR1HSD11B1S1PR2S1PR1
SCHEMBL28439330 0.95 HSD11B1 (0.44) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL16366239 0.95 HSD11B1 (0.44) HSD11B1S1PR2S1PR1S1PR3LPAR2

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 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.