SCHEMBL1765441

SCHEMBL1765441

O=C(O)c1ccc(C(CCCC(F)(F)F)Oc2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
SLC6A4 P31645 3/20 0.43
SLC7A5 Q01650 8/20 0.41
LDHA P00338 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A9 P48067 2/20 0.39
GCGR P47871 1/20 0.39
SRD5A2 P31213 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNK2 O95069 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 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
SCHEMBL1765680 0.87 SLC6A4 (0.43) SLC6A4SLC7A5KMT2ASLC6A9GCGR
SCHEMBL1765736 0.84 GCGR (0.58) GCGR
SCHEMBL1765239 0.82 TP53 (0.51) RXRARXRBSLC6A4SLC7A5KMT2A
SCHEMBL11901112 0.82 SLC6A4 (0.50) RXRARXRBSLC6A4LDHAKMT2A
SCHEMBL1765094 0.80 GCGR (0.50) GCGRALDH1A1
SCHEMBL11900271 0.76 KMT2A (0.51) RXRARXRBSLC6A4LDHAKMT2A
SCHEMBL11463310 0.74 TSHR (0.50) RXRARXRBSLC7A5KMT2ATSHR
SCHEMBL1765581 0.71 GCGR (0.64) GCGR
SCHEMBL1765589 0.71 MGLL (0.48) SLC6A4SLC7A5KMT2A
SCHEMBL679796 0.70 PKM (0.61) ALDH1A1TSHRHSD17B10

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 RXRA 541/4885RXRB 523/4885SLC6A4 2988/4885
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR RXRA 541/4885RXRB 523/4885SLC6A4 2988/4885
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR RXRA 541/4885RXRB 523/4885SLC6A4 2988/4885

“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.