SCHEMBL16305701

SCHEMBL16305701

CC(C)Oc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4CC(C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ F10 P00742 2/20 0.36
▸ ST14 Q9Y5Y6 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ PYGL P06737 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33

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
SCHEMBL16305761 0.93 ACACB (0.34) S1PR1S1PR4S1PR5PYGLPRCP
SCHEMBL17834914 0.93 F10 (0.37) S1PR1S1PR4S1PR5F10ST14
SCHEMBL16305702 0.93 ITGA4 (0.39) F10ST14F2PLGPLAU
SCHEMBL16305841 0.92 MCL1 (0.36) S1PR1S1PR4S1PR5MCL1PYGL
SCHEMBL17834564 0.92 PYGL (0.41) S1PR1S1PR4S1PR5MCL1PYGL
SCHEMBL16306158 0.91 S1PR1 (0.42) S1PR1S1PR4S1PR5PYGLHRH2
SCHEMBL16305996 0.91 S1PR1 (0.40) S1PR1S1PR5HRH2HRH1
SCHEMBL16306134 0.91 PYGL (0.34) S1PR1S1PR5PYGLPRCPHRH2
SCHEMBL16305964 0.91 S1PR1 (0.38) S1PR1S1PR5HRH2HRH1
SCHEMBL16295387 0.91 S1PR1 (0.38) S1PR1S1PR5HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
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
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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — 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
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-07-28 — — US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-01-08 — — US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 — — 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 (7 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 486/4885S1PR4 665/4885S1PR5 889/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR4 665/4885S1PR5 889/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR4 665/4885S1PR5 889/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR4 665/4885S1PR5 889/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR1 523/4885S1PR4 713/4885S1PR5 939/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR1 523/4885S1PR4 713/4885S1PR5 939/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR4 665/4885S1PR5 889/4885

“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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