SCHEMBL19807138

SCHEMBL19807138

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(Cc4nccs4)C(O)O)cc3)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.37
▸ ITGB1 P05556 3/20 0.36
▸ ITGA4 P13612 3/20 0.36
▸ ITGB3 P05106 3/20 0.36
▸ ITGA2B P08514 3/20 0.36
▸ KLKB1 P03952 10/20 0.35
▸ PLA2G4A P47712 2/20 0.35
▸ SRC P12931 1/20 0.34
▸ KLK1 P06870 5/20 0.34

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
SCHEMBL16306241 0.91 ITGB1 (0.42) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL22384162 0.90 ITGB1 (0.39) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL22756228 0.90 ITGB3 (0.40) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL19544621 0.89 ITGB3 (0.41) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL19807126 0.89 ITGB1 (0.40) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL22384275 0.88 PLG (0.47) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL22756166 0.88 ITGB1 (0.38) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL22756182 0.87 ITGB3 (0.40) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL20900635 0.87 PLG (0.41) PLGITGB1ITGA4ITGB3ITGA2B
SCHEMBL22756185 0.87 KLKB1 (0.39) PLGITGB1ITGA4ITGB3ITGA2B

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-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — 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 (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-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PLG 3184/4885ITGB1 3589/4885ITGA4 4651/4885

“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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