SCHEMBL2271732

SCHEMBL2271732

COC=Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
KIF11 P52732 11/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AGXT P21549 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL2271728 1.00 CYP1A1 (0.42) CYP1A1CYP1B1KIF11CA1CA2
SCHEMBL2273990 0.77 CA1 (0.54) CYP1A1CYP1B1KIF11CA1CA2
SCHEMBL2273994 0.77 CA1 (0.54) CYP1A1CYP1B1KIF11CA1CA2
SCHEMBL10030238 0.77 RARB (0.40) CYP1A1CYP1B1CYP11B1CYP11B2
SCHEMBL2273143 0.76 KIF11 (0.51) CYP1A1CYP1B1KIF11CA1CA2
SCHEMBL1673838 0.75 CYP1A1 (0.40) CYP1A1CYP1B1
SCHEMBL1673839 0.75 CYP1A1 (0.40) CYP1A1CYP1B1
SCHEMBL13906295 0.72 CYP17A1 (0.56) KIF11
SCHEMBL3119517 0.71 PTGS1 (0.53) CYP1A1CYP1B1CA1CA2
SCHEMBL3119513 0.71 PTGS1 (0.53) CYP1A1CYP1B1CA1CA2

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 5 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
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 CYP1A1 2381/4885CYP1B1 2496/4885KIF11 3904/4885

“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.