SCHEMBL17994259

SCHEMBL17994259

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)NC(CC(C)=O)C(=O)OC(C)(C)C)cc3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.43
▸ PLG P00747 1/20 0.43
▸ PPARG P37231 3/20 0.41
▸ ITGB1 P05556 2/20 0.41
▸ ITGA4 P13612 2/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ HRH2 P25021 2/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ RARB P10826 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 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
SCHEMBL16375226 1.00 KLKB1 (0.43) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL17995088 0.94 KLKB1 (0.43) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL16294999 0.94 KLKB1 (0.45) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL16306088 0.94 KLKB1 (0.43) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL16295002 0.94 KLKB1 (0.45) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL16295907 0.90 PPARG (0.45) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL16295908 0.90 PPARG (0.45) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL16294807 0.90 PPARG (0.45) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL22384109 0.90 KLKB1 (0.46) KLKB1PLGPPARGITGB1ITGA4
SCHEMBL19485518 0.90 KLKB1 (0.46) KLKB1PLGPPARGITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — 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 (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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KLKB1 2855/4885PLG 3184/4885PPARG 317/4885

“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.

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