SCHEMBL17459565

SCHEMBL17459565

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)C[C@@H](N)C(=O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.35
▸ MME P08473 6/20 0.35
▸ KIFC1 Q9BW19 2/20 0.34
▸ TPH1 P17752 8/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ ACE2 Q9BYF1 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
SCHEMBL17968819 1.00 HPGDS (0.35) HPGDSMMEKIFC1TPH1MCL1
SCHEMBL15019919 0.90 MME (0.42) HPGDSMMEKIFC1MCL1ACE
SCHEMBL15019922 0.90 MME (0.42) HPGDSMMEKIFC1MCL1ACE
SCHEMBL16295915 0.85 ITGB1 (0.43) —
SCHEMBL17459639 0.85 MME (0.41) HPGDSMME
SCHEMBL16295098 0.85 MME (0.41) HPGDSMME
SCHEMBL17459640 0.85 MME (0.41) HPGDSMME
SCHEMBL17825314 0.83 DGAT1 (0.34) HPGDSMMEKIFC1TPH1MCL1
SCHEMBL17825497 0.83 MAPT (0.43) —
SCHEMBL15037038 0.83 MAPT (0.43) —

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
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP 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-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — US disclosed
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 — — EP disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — US disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 — — 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 (5 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 HPGDS 4308/4885MME 796/4885KIFC1 4738/4885
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HPGDS 4030/4885MME 1336/4885KIFC1 4760/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HPGDS 4308/4885MME 796/4885KIFC1 4738/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR HPGDS 4171/4885MME 919/4885KIFC1 4749/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HPGDS 4030/4885MME 1336/4885KIFC1 4760/4885

“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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