SCHEMBL1765830

SCHEMBL1765830

FC(F)(F)c1ccc(-c2ccc(S)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.61
MAOB P27338 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL415546 0.92 ALDH1A1 (0.50) KIF11ALDH1A1TSHR
Fluoride SCHEMBL29094699 0.89 ALDH1A1 (0.48) KIF11ALDH1A1TSHR
SCHEMBL29914837 0.86 KIF11 (0.78) KIF11MAOBCA1CA2ALDH1A1
SCHEMBL13410633 0.86 KIF11 (0.78) KIF11MAOBCA1CA2ALDH1A1
SCHEMBL197238 0.86 KIF11 (0.78) KIF11MAOBCA1CA2ALDH1A1
Alcohol SCHEMBL2201593 0.78 KIF11 (0.41) KIF11ALDH1A1TSHR
SCHEMBL7672068 0.78 LTA4H (0.45) KIF11MAOBCA1CA2ALDH1A1
SCHEMBL12937177 0.78 KIF11 (0.67) KIF11MAOBCA1CA2ALDH1A1
SCHEMBL8765728 0.77 PDE2A (0.52) KIF11ALDH1A1TSHR
SCHEMBL63468 0.76 ALDH1A1 (0.67) KIF11ALDH1A1TSHR

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 10 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
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US 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 KIF11 4170/4885MAOB 3552/4885CA1 4194/4885
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR KIF11 4170/4885MAOB 3552/4885CA1 4194/4885
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR KIF11 4170/4885MAOB 3552/4885CA1 4194/4885

“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.