SCHEMBL16306000

SCHEMBL16306000

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(OC5CCCC5)cc4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ ITGB7 P26010 2/20 0.39
▸ ITGA5 P08648 1/20 0.35
▸ ACACB O00763 3/20 0.35
▸ PYGL P06737 1/20 0.35
▸ PRCP P42785 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ MCL1 Q07820 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
SCHEMBL16306128 1.00 ITGB1 (0.39) ITGB1ITGA4ITGB7ITGA5ACACB
SCHEMBL16306001 0.97 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGA5ACACB
SCHEMBL16306148 0.91 SRC (0.36) ITGB1ITGA4ITGB7ITGA5ACACB
SCHEMBL16305702 0.91 ITGA4 (0.39) ITGB1ITGA4ITGB7PYGLKMT2A
SCHEMBL16306127 0.90 ITGB1 (0.38) ITGB1ITGA5ACACBPRCPSRC
SCHEMBL16306195 0.90 ITGB1 (0.38) ITGB1ITGA5ACACBPRCPSRC
SCHEMBL17834564 0.90 PYGL (0.41) ITGB1ITGA4ITGB7PYGLPRCP
SCHEMBL16305699 0.89 ACACB (0.36) ITGB1ITGA5ACACBHRH2HRH1
SCHEMBL17834771 0.89 S1PR1 (0.39) ITGB1ITGA4ITGB7PYGLPRCP
SCHEMBL16305701 0.89 S1PR1 (0.41) PYGLPRCPMCL1HRH2HRH1

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 ITGB1 3589/4885ITGA4 4651/4885ITGB7 3923/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885ITGB7 3923/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885ITGB7 3923/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885ITGB7 3923/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885ITGB7 3925/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885ITGB7 3925/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885ITGB7 3923/4885

“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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