SCHEMBL16306037

SCHEMBL16306037

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.39
▸ KIFC1 Q9BW19 2/20 0.39
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ S1PR5 Q9H228 3/20 0.35
▸ PYGL P06737 1/20 0.35
▸ S1PR1 P21453 3/20 0.34
▸ S1PR4 O95977 2/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GPR132 Q9UNW8 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ STAT5A P42229 1/20 0.34
▸ STAT5B P51692 1/20 0.34
▸ TPH1 P17752 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
SCHEMBL16305700 0.95 S1PR4 (0.39) MCL1KIFC1ITGA4ITGB7S1PR5
SCHEMBL19485639 0.93 ALOX5AP (0.39) MCL1KIFC1ITGB1ITGA4ITGB7
SCHEMBL17834564 0.93 PYGL (0.41) MCL1ITGB1ITGA4ITGB7S1PR5
SCHEMBL16294409 0.92 ITGB3 (0.38) S1PR5PYGLS1PR1S1PR4S1PR3
SCHEMBL16343238 0.92 ITGB3 (0.38) S1PR5PYGLS1PR1S1PR4S1PR3
SCHEMBL19485716 0.90 ALOX5AP (0.42) MCL1KIFC1ITGB1ITGA4ITGB7
SCHEMBL17834926 0.90 PYGL (0.37) MCL1ITGB1ITGA4ITGB7S1PR5
SCHEMBL16305702 0.89 ITGA4 (0.39) ITGB1ITGA4ITGB7PYGL
SCHEMBL17834915 0.89 S1PR1 (0.39) KIFC1S1PR5PYGLS1PR1S1PR4
SCHEMBL17968924 0.89 P2RX7 (0.34) MCL1KIFC1PYGL

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 2102/4885KIFC1 4738/4885ITGB1 3589/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885KIFC1 4738/4885ITGB1 3589/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885KIFC1 4738/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885KIFC1 4738/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MCL1 1664/4885KIFC1 4749/4885ITGB1 3369/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MCL1 1664/4885KIFC1 4749/4885ITGB1 3369/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885KIFC1 4738/4885ITGB1 3589/4885

“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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