SCHEMBL1765629

SCHEMBL1765629

COC(=O)c1ccc(C(O)CCCC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA7 P43166 1/20 0.46
CYP4A11 Q02928 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
CYP4F2 P78329 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL1765662 0.85 NPC1 (0.50) TSHRMAPTCA1CA2CA12
SCHEMBL25216751 0.85 CYP4A11 (0.58) TSHRMAPTCA1CA2CA12
SCHEMBL1765677 0.84 MGLL (0.50) TSHRMAPTCA1CA2CA12
SCHEMBL17023761 0.84 MAPT (0.49) TSHRMAPTCA1CA2CA12
SCHEMBL29732761 0.83 MAPT (0.49) TSHRGAAMAPTCA1CA2
SCHEMBL11901631 0.83 SLC6A2 (0.51) TSHRMAPTCA1CA2CA12
SCHEMBL14661699 0.83 SLC6A2 (0.51) TSHRMAPTCA1CA2CA12
SCHEMBL3195273 0.83 CYP4A11 (0.51) TSHRGAAMAPTCA1CA2
SCHEMBL1765145 0.83 MAPT (0.49) TSHRGAAMAPTCA1CA2
SCHEMBL19922898 0.83 MAPT (0.49) TSHRGAAMAPTCA1CA2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609892-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2013-12-17 US disclosed
US-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2011-05-26 US disclosed
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2010-12-23 US disclosed
US-7816557-B2 3-{4-[1-(4'-tert-butyl-2,6-dimethyl-biphenyl-4-yloxy)-4,4,4-trifluoro-butyl]-benzoylamino}-propionic acid; treat diabetic and other glucagon related metabolic disorders ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
EP-2159221-A1 Glucagon receptor antagonists, preparation and therapeutic uses Eli Lilly & Company (US) 2010-03-03 EP disclosed
EP-1758853-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-20 EP disclosed
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY (US) 2007-10-25 US disclosed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 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 (3 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-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR TSHR 57/4885GAA 347/4885MAPT 4737/4885
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR TSHR 57/4885GAA 347/4885MAPT 4737/4885
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR TSHR 57/4885GAA 347/4885MAPT 4737/4885

“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.