SCHEMBL2274149

SCHEMBL2274149

COC(=O)c1ccc(SC(CC2CCCCC2)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.46
PPARA Q07869 1/20 0.40
CYP3A4 P08684 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
RORC P51449 1/20 0.38
LMNA P02545 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MTOR P42345 1/20 0.37
MCHR1 Q99705 2/20 0.36
CNR1 P21554 1/20 0.36
MAPT P10636 3/20 0.36
APP P05067 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35

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
SCHEMBL2355392 0.89 PPARD (0.46) PPARDPPARACYP3A4SMN1; SMN2MTOR
SCHEMBL2273585 0.89 PPARD (0.46) PPARDPPARACYP3A4SMN1; SMN2MTOR
SCHEMBL2354344 0.88 GCGR (0.43) PPARDPPARA
SCHEMBL2272343 0.88 GCGR (0.43) PPARDPPARA
SCHEMBL2274070 0.85 GCGR (0.49) PPARD
SCHEMBL2276673 0.85 GCGR (0.49) PPARD
SCHEMBL2274074 0.85 GCGR (0.49) PPARD
SCHEMBL2270317 0.84 LMNA (0.42) PPARDPPARACYP3A4SMN1; SMN2HTT
SCHEMBL2272422 0.84 LMNA (0.42) PPARDPPARACYP3A4SMN1; SMN2HTT
SCHEMBL2653111 0.82 PPARD (0.40) PPARDCYP3A4ALDH1A1CYP1A2TSHR

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 PPARD 135/4885PPARA 204/4885CYP3A4 2394/4885

“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.