SCHEMBL16305841

SCHEMBL16305841

CC(C)COc1ccc(-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 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ S1PR1 P21453 4/20 0.35
▸ PYGL P06737 1/20 0.34
▸ S1PR5 Q9H228 3/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ S1PR4 O95977 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ TARBP2 Q15633 1/20 0.33
▸ SMPD1 P17405 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KLKB1 P03952 1/20 0.32

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
SCHEMBL16306159 0.94 S1PR1 (0.33) S1PR1PYGLS1PR5ITGB1ITGA5
SCHEMBL16306158 0.94 S1PR1 (0.42) S1PR1PYGLS1PR5ITGB1ITGA5
SCHEMBL16295387 0.93 S1PR1 (0.38) S1PR1S1PR5ITGB1ITGA5HRH2
SCHEMBL16305964 0.93 S1PR1 (0.38) S1PR1S1PR5ITGB1ITGA5HRH2
SCHEMBL16305734 0.92 RARB (0.38) S1PR1S1PR5ITGB1ITGA5HRH2
SCHEMBL16305996 0.92 S1PR1 (0.40) S1PR1S1PR5ITGB1ITGA5HRH2
SCHEMBL16305701 0.92 S1PR1 (0.41) MCL1NR1H4S1PR1PYGLS1PR5
SCHEMBL16306134 0.92 PYGL (0.34) S1PR1PYGLS1PR5ITGB1ITGA5
SCHEMBL16305702 0.92 ITGA4 (0.39) PYGLITGB1
SCHEMBL16305995 0.91 S1PR1 (0.37) MCL1ACACBS1PR1S1PR5ITGB1

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 14 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
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — 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 MCL1 2102/4885NR1H4 1028/4885ACACB 3909/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885NR1H4 1028/4885ACACB 3909/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885NR1H4 1028/4885ACACB 3909/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885NR1H4 1028/4885ACACB 3909/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MCL1 1664/4885NR1H4 886/4885ACACB 3721/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MCL1 1664/4885NR1H4 886/4885ACACB 3721/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885NR1H4 1028/4885ACACB 3909/4885

“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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