SCHEMBL17459554

SCHEMBL17459554

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)OC(=O)C2CCNC2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 4/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ ACACB O00763 1/20 0.33
▸ ITGB3 P05106 4/20 0.33
▸ ITGA2B P08514 4/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.31
▸ CIT O14578 1/20 0.31
▸ CASK O14936 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ GAK O14976 1/20 0.31
▸ DCLK1 O15075 1/20 0.31
▸ MAP3K7 O43318 1/20 0.31
▸ CCNT1 O60563 1/20 0.31

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
SCHEMBL17459559 0.94 KIF11 (0.32) KIFC1KIF11ACACBCTSCHPGDS
SCHEMBL17459590 0.87 ITGB1 (0.34) ACACBHPGDS
SCHEMBL17459589 0.87 ITGB1 (0.34) ACACBHPGDS
SCHEMBL17968902 0.87 DPP4 (0.38) KIFC1KIF11CTSKCTSCCCNE2
SCHEMBL28532732 0.86 ITGB1 (0.33) ACACBHPGDS
SCHEMBL28532154 0.86 CACNA1B (0.33) ACACBITGB3ITGA2BMKNK1
SCHEMBL17459575 0.83 SMYD3 (0.34) KIFC1KIF11ACACBCTSLCTSC
SCHEMBL17825497 0.81 MAPT (0.43) —
SCHEMBL15037038 0.81 MAPT (0.43) —
SCHEMBL17825520 0.81 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 9 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-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — 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-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 (2 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KIFC1 4760/4885KIF11 4830/4885ACACB 3704/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KIFC1 4760/4885KIF11 4830/4885ACACB 3704/4885

“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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