SCHEMBL20426311

SCHEMBL20426311

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 4/20 0.43
▸ ITGA4 P13612 4/20 0.43
▸ ITGB3 P05106 5/20 0.43
▸ ITGA2B P08514 5/20 0.43
▸ RARB P10826 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ S1PR4 O95977 3/20 0.39
▸ S1PR1 P21453 3/20 0.39
▸ S1PR3 Q99500 3/20 0.39
▸ S1PR5 Q9H228 3/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL20426112 1.00 ITGB1 (0.43) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL20427349 0.95 ITGB1 (0.43) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL15020017 0.93 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL15091900 0.93 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL15037058 0.93 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL15096631 0.93 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL22449285 0.93 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL15037035 0.93 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL22449298 0.93 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2BRARB
SCHEMBL22449249 0.93 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2BRARB

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 2 patents. 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
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — 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 (2 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-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885ITGB3 3678/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885ITGB3 3678/4885

“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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