SCHEMBL17834915

SCHEMBL17834915

CCCCc1ccc(-c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.39
▸ S1PR5 Q9H228 4/20 0.39
▸ S1PR4 O95977 3/20 0.39
▸ KIFC1 Q9BW19 2/20 0.36
▸ PYGL P06737 1/20 0.35
▸ S1PR3 Q99500 4/20 0.35
▸ PRCP P42785 1/20 0.34
▸ RARB P10826 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL17834564 0.93 PYGL (0.41) S1PR1S1PR5S1PR4PYGLS1PR3
SCHEMBL16305996 0.93 S1PR1 (0.40) S1PR1S1PR5S1PR3
SCHEMBL17825537 0.92 KIFC1 (0.36) S1PR1S1PR5S1PR4KIFC1PYGL
SCHEMBL17825503 0.92 KIFC1 (0.36) S1PR1S1PR5S1PR4KIFC1PYGL
SCHEMBL16294409 0.92 ITGB3 (0.38) S1PR1S1PR5S1PR4PYGLS1PR3
SCHEMBL16305700 0.92 S1PR4 (0.39) S1PR1S1PR5S1PR4KIFC1PYGL
SCHEMBL16343238 0.92 ITGB3 (0.38) S1PR1S1PR5S1PR4PYGLS1PR3
SCHEMBL17834406 0.91 S1PR5 (0.41) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL16306017 0.91 S1PR5 (0.42) S1PR1S1PR5S1PR3
SCHEMBL16305550 0.91 S1PR5 (0.43) S1PR1S1PR5S1PR3

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 6 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-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-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 S1PR1 486/4885S1PR5 889/4885S1PR4 665/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR5 889/4885S1PR4 665/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR1 523/4885S1PR5 939/4885S1PR4 713/4885

“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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