SCHEMBL17834872

SCHEMBL17834872

CC(C)CCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(CC(C)C)s4)C(=O)N4CC(C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.39
▸ S1PR5 Q9H228 4/20 0.39
▸ ITGB1 P05556 2/20 0.38
▸ ITGA5 P08648 2/20 0.38
▸ S1PR4 O95977 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ HRH2 P25021 3/20 0.36
▸ HRH1 P35367 3/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ TMPRSS15 P98073 1/20 0.34
▸ PYGL P06737 1/20 0.34
▸ PSMB11 A5LHX3 1/20 0.34
▸ PSMA7 O14818 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMA1 P25786 1/20 0.34
▸ PSMA2 P25787 1/20 0.34
▸ PSMA3 P25788 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
SCHEMBL17834896 0.95 S1PR1 (0.39) S1PR1S1PR5ITGB1ITGA5S1PR4
SCHEMBL17834592 0.94 S1PR5 (0.42) S1PR1S1PR5ITGB1ITGA5S1PR3
SCHEMBL17834895 0.94 S1PR1 (0.38) S1PR1S1PR5ITGB1ITGA5S1PR4
SCHEMBL17825483 0.93 S1PR1 (0.37) S1PR1S1PR5ITGB1ITGA5S1PR4
SCHEMBL17834726 0.92 S1PR1 (0.40) S1PR1S1PR5ITGB1ITGA5S1PR3
SCHEMBL16305964 0.90 S1PR1 (0.38) S1PR1S1PR5ITGB1ITGA5S1PR3
SCHEMBL16295387 0.90 S1PR1 (0.38) S1PR1S1PR5ITGB1ITGA5S1PR3
SCHEMBL17995145 0.89 ITGB1 (0.39) S1PR1S1PR5ITGB1ITGA5RARB
SCHEMBL17834871 0.89 S1PR1 (0.43) S1PR1S1PR5ITGB1ITGA5S1PR4
SCHEMBL16306016 0.88 S1PR5 (0.43) S1PR1S1PR5ITGB1S1PR3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO 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 (3 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 S1PR1 486/4885S1PR5 889/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR5 889/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR1 523/4885S1PR5 939/4885ITGB1 3369/4885

“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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