SCHEMBL19807126

SCHEMBL19807126

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.40
▸ ITGA4 P13612 3/20 0.40
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ PLG P00747 1/20 0.38
▸ PPARG P37231 3/20 0.37
▸ SRC P12931 1/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ XIAP P98170 1/20 0.36
▸ TAOK1 Q7L7X3 1/20 0.35
▸ TAOK3 Q9H2K8 1/20 0.35
▸ IL1RN P18510 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ REN P00797 1/20 0.34
▸ RARB P10826 2/20 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
SCHEMBL22384162 0.94 ITGB1 (0.39) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL22756228 0.93 ITGB3 (0.40) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL19544621 0.92 ITGB3 (0.41) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL20900635 0.91 PLG (0.41) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL22756166 0.91 ITGB1 (0.38) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL16306067 0.91 ITGB1 (0.43) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL22756182 0.90 ITGB3 (0.40) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL16305985 0.89 ITGB1 (0.42) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL16305707 0.89 ITGB1 (0.42) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL16305709 0.89 ITGB1 (0.42) ITGB1ITGA4ITGB3ITGA2BPLG

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 ITGB1 3589/4885ITGA4 4651/4885ITGB3 4025/4885

“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.

Send feedback