SCHEMBL17834799

SCHEMBL17834799

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.46
▸ PTPN1 P18031 2/20 0.40
▸ ITGB1 P05556 3/20 0.38
▸ ITGA4 P13612 2/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ ITGB5 P18084 1/20 0.37
▸ GPR132 Q9UNW8 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36

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 0.91 ITGB1 (0.40) CTSBPTPN1ITGB1ITGA4CA2
SCHEMBL17834643 0.91 ITGB1 (0.40) CTSBPTPN1ITGB1ITGA4CA2
SCHEMBL17834669 0.91 DGAT1 (0.41) CTSBPTPN1ITGB1ITGA4CA2
SCHEMBL17834638 0.91 ITGB1 (0.40) CTSBPTPN1ITGB1ITGA4CA2
SCHEMBL17995135 0.90 CA2 (0.46) PTPN1ITGB1ITGA4CA2GPR132
SCHEMBL17834624 0.90 L3MBTL1 (0.41) CTSBPTPN1ITGB1ITGA4CA2
SCHEMBL17834647 0.89 ITGB1 (0.40) PTPN1ITGB1ITGA4CA2CA1
SCHEMBL17834788 0.89 L3MBTL1 (0.40) PTPN1ITGB1ITGA4CA2CA1
SCHEMBL17834644 0.88 KIFC1 (0.43) ITGB1ITGA4L3MBTL1GPR132ALDH1A1
SCHEMBL17834678 0.88 ALDH1A1 (0.38) CTSBPTPN1ITGB1ITGA4CA2

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 CTSB 1692/4885PTPN1 236/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CTSB 1692/4885PTPN1 236/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CTSB 1992/4885PTPN1 258/4885ITGB1 3369/4885

“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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