SCHEMBL17834798

SCHEMBL17834798

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 12/20 0.43
▸ CA1 P00915 6/20 0.43
▸ ITGB1 P05556 3/20 0.43
▸ ITGA4 P13612 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ITGB7 P26010 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ITGAL P20701 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 0.91 ITGB1 (0.40) CA2CA1ITGB1ITGA4CA12
SCHEMBL17834643 0.90 ITGB1 (0.40) CA2CA1ITGB1ITGA4CA12
SCHEMBL17834669 0.90 DGAT1 (0.41) CA2CA1ITGB1ITGA4CA12
SCHEMBL17834638 0.90 ITGB1 (0.40) CA2CA1ITGB1ITGA4CA12
SCHEMBL17834624 0.89 L3MBTL1 (0.41) CA2CA1ITGB1ITGA4CA12
SCHEMBL17995135 0.89 CA2 (0.46) CA2ITGB1ITGA4KMT2A
SCHEMBL17834647 0.88 ITGB1 (0.40) CA2CA1ITGB1ITGA4CA12
SCHEMBL17834788 0.88 L3MBTL1 (0.40) CA2CA1ITGB1ITGA4CA12
SCHEMBL17834790 0.88 ITGB1 (0.37) CA2CA1ITGB1ITGA4CA12
SCHEMBL17834799 0.88 CTSB (0.46) CA2CA1ITGB1ITGA4CA12

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 CA2 3950/4885CA1 4440/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CA2 3950/4885CA1 4440/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CA2 3647/4885CA1 4299/4885ITGB1 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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