SCHEMBL2269018

SCHEMBL2269018

CCC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.53
RXRG P48443 8/20 0.53
RXRB P28702 7/20 0.53
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
KIF11 P52732 5/20 0.47
PIK3CA P42336 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MAOB P27338 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46

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
SCHEMBL4657783 0.95 PIK3CA (0.50) RXRARXRGRXRBPSEN1PSEN2
Bromoethane SCHEMBL2652759 0.94 RXRA (0.48) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL4305804 0.83 PIK3CA (0.56) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL2652603 0.82 RXRA (0.56) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL30628135 0.81 PIK3CA (0.47) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL2272003 0.80 RXRA (0.77) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL8425193 0.79 BACE1 (0.54) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL5512144 0.79 RXRA (0.56) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL12809279 0.79 RXRA (0.56) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL15435394 0.78 NR1H4 (0.49) RXRARXRGRXRBHDAC8

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 4 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
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 RXRA 571/4885RXRG 475/4885RXRB 565/4885

“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.