SCHEMBL2270593

SCHEMBL2270593

COC(C)(C)c1cccc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
ATM Q13315 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CA2 P00918 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32
HTR1B P28222 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9508330 0.82 TSHR (0.41) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL28853148 0.81 TRPA1 (0.46) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL28921494 0.79 TRPA1 (0.40) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL29651139 0.79 TRPA1 (0.40) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL11109237 0.79 CD44 (0.45) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL28186985 0.78 ATM (0.39) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL3462906 0.77 TRPA1 (0.41) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL30660859 0.77 GABRA1 (0.60) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL3167832 0.77 GABRA1 (0.60) TRPA1ATMGABRA1GABRB2CA2
SCHEMBL9065287 0.77 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2CA2

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 TRPA1 1112/4885ATM 4061/4885GABRA1 420/4885

“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.