SCHEMBL16295347

SCHEMBL16295347

C[C@@H](NC(=O)[C@H](Cc1ccc(-c2ncc(Br)cn2)cc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.55
▸ TACR1 P25103 2/20 0.52
▸ CTSL P07711 5/20 0.51
▸ CTSB P07858 5/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 1/20 0.51
▸ MME P08473 1/20 0.51
▸ ECE1 P42892 1/20 0.51
▸ ITGA4 P13612 1/20 0.48
▸ ITGB7 P26010 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL16343329 0.90 CTSL (0.49) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16343330 0.90 CTSL (0.49) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16343328 0.90 CTSL (0.49) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16294752 0.89 ITGB3 (0.56) TACR1CTSLCTSBCTSSMME
SCHEMBL16294750 0.89 ITGB3 (0.56) TACR1CTSLCTSBCTSSMME
SCHEMBL17968987 0.89 ITGB3 (0.56) TACR1CTSLCTSBCTSSMME
SCHEMBL22167246 0.87 ALDH1A1 (0.54) TACR1CTSLCTSBCTSSCTSK
SCHEMBL22167247 0.86 TACR1 (0.51) TACR1CTSLCTSBCTSSCTSK
SCHEMBL17532279 0.86 TACR1 (0.51) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10967811 0.85 CAPN1 (0.72) CAPN1TACR1CTSLCTSBCTSS

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-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-9598430-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-03-21 — — 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
EP-3008056-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2016-04-20 — — EP disclosed
US-9260427-B2 GLP-1 receptor modulators RECEPTOS, INC. (US) 2016-02-16 — — US 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 CAPN1 3403/4885TACR1 202/4885CTSL 1635/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CAPN1 3403/4885TACR1 202/4885CTSL 1635/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CAPN1 3403/4885TACR1 202/4885CTSL 1635/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CAPN1 3403/4885TACR1 202/4885CTSL 1635/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CAPN1 3628/4885TACR1 320/4885CTSL 1620/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CAPN1 3628/4885TACR1 320/4885CTSL 1620/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CAPN1 3403/4885TACR1 202/4885CTSL 1635/4885

“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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