SCHEMBL17834643

SCHEMBL17834643

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)=O)cc5)C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ ITGB5 P18084 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38
▸ CA2 P00918 6/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL17834635 0.94 ITGB1 (0.40) ITGB1ITGA4PTPN1L3MBTL1ITGB3
SCHEMBL17834638 0.93 ITGB1 (0.40) ITGB1ITGA4PTPN1L3MBTL1ITGB3
SCHEMBL17834669 0.93 DGAT1 (0.41) ITGB1ITGA4PTPN1L3MBTL1ITGB3
SCHEMBL17995135 0.92 CA2 (0.46) ITGB1ITGA4PTPN1GPR132CA2
SCHEMBL17834624 0.92 L3MBTL1 (0.41) ITGB1ITGA4PTPN1L3MBTL1ITGB3
SCHEMBL17834647 0.91 ITGB1 (0.40) ITGB1ITGA4PTPN1L3MBTL1ITGB3
SCHEMBL17834788 0.91 L3MBTL1 (0.40) ITGB1ITGA4PTPN1L3MBTL1ITGB3
SCHEMBL17834644 0.91 KIFC1 (0.43) ITGB1ITGA4L3MBTL1ALDH1A1LMNA
SCHEMBL17834799 0.91 CTSB (0.46) ITGB1ITGA4PTPN1L3MBTL1ITGB3
SCHEMBL17834678 0.90 ALDH1A1 (0.38) ITGB1ITGA4PTPN1L3MBTL1ITGB3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP 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-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
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — 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 (3 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 4651/4885PTPN1 236/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885PTPN1 236/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885PTPN1 258/4885

“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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