Sugi Predict

Sugi Predict / Compounds / SCHEMBL2659255

SCHEMBL2659255

SCHEMBL2659255

CC[C@@H](Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 8/20 0.42
▸ DAO P14920 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ SLC6A4 P31645 4/20 0.39
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KCNK2 O95069 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CACNA1C Q13936 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL2653134 1.00 SLC6A9 (0.42) SLC6A9DAOPPARAKIF11PPARG
SCHEMBL2653917 0.88 HDAC3 (0.46) SLC6A9KIF11KDM4EMEN1KMT2A
SCHEMBL3333478 0.88 HDAC3 (0.46) SLC6A9KIF11KDM4EMEN1KMT2A
SCHEMBL3327530 0.85 GCGR (0.51) CHRM5
SCHEMBL2653243 0.85 GCGR (0.51) CHRM5
SCHEMBL2659493 0.82 GCGR (0.43) PPARASLC6A4SLC6A2SLC6A3HRH3
SCHEMBL2653031 0.82 GCGR (0.43) PPARASLC6A4SLC6A2SLC6A3HRH3
SCHEMBL2277391 0.77 GCGR (0.52) SLC6A9PPARGPPARDSLC6A4SLC6A2
SCHEMBL1765551 0.77 GCGR (0.52) SLC6A9PPARGPPARDSLC6A4SLC6A2
SCHEMBL2268629 0.77 GCGR (0.52) SLC6A9PPARGPPARDSLC6A4SLC6A2

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
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 — — US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 — — US disclosed
EP-1856090-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 — — EP disclosed
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 — — EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 — — 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-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR SLC6A9 2072/4885DAO 2256/4885PPARA 211/4885

“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.