SCHEMBL20900623

SCHEMBL20900623

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ S1PR1 P21453 5/20 0.36
▸ RARB P10826 3/20 0.36
▸ ENPP2 Q13822 3/20 0.35
▸ S1PR4 O95977 4/20 0.35
▸ S1PR3 Q99500 4/20 0.35
▸ S1PR5 Q9H228 3/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 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
SCHEMBL22384107 0.90 RARB (0.39) ITGB3ITGA2BS1PR1RARBENPP2
SCHEMBL20900636 0.87 ITGB3 (0.41) ITGB3ITGA2BS1PR1RARBS1PR4
SCHEMBL22756173 0.87 PPARG (0.42) ITGB3ITGA2BS1PR1RARBENPP2
SCHEMBL22384155 0.87 ITGB3 (0.35) ITGB3ITGA2BS1PR1RARBENPP2
SCHEMBL22384179 0.86 ITGB3 (0.40) ITGB3ITGA2BS1PR1RARBPPARG
SCHEMBL16305930 0.86 ITGB1 (0.40) ITGB3ITGA2BS1PR1RARBPPARG
SCHEMBL22384044 0.86 PPARG (0.35) ITGB3ITGA2BS1PR1RARBENPP2
SCHEMBL22384279 0.86 ITGB1 (0.44) ITGB3ITGA2BENPP2PPARGITGB1
SCHEMBL20426081 0.85 ITGB3 (0.43) ITGB3ITGA2BPPARGPPARAITGB1
SCHEMBL20427250 0.85 ENPP2 (0.36) ITGB3ITGA2BS1PR1RARBENPP2

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-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 — — 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-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885S1PR1 523/4885

“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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