SCHEMBL17834771

SCHEMBL17834771

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(C5CCCC5)cc4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.39
▸ S1PR5 Q9H228 4/20 0.39
▸ S1PR4 O95977 3/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ PRCP P42785 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ F2 P00734 3/20 0.35
▸ F10 P00742 2/20 0.35
▸ PLG P00747 2/20 0.35
▸ PLAU P00749 2/20 0.35
▸ ST14 Q9Y5Y6 2/20 0.35
▸ PYGL P06737 1/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ ITGB7 P26010 2/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ KDM1A O60341 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
SCHEMBL22167263 0.95 S1PR4 (0.38) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL19485602 0.95 PRCP (0.38) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL17834841 0.94 S1PR1 (0.35) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL17834650 0.94 S1PR1 (0.35) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL17834844 0.94 S1PR1 (0.35) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL17995219 0.94 S1PR1 (0.34) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL17834484 0.94 MAPK1 (0.37) S1PR1S1PR5S1PR4S1PR3PYGL
SCHEMBL17834744 0.94 S1PR1 (0.33) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL17834485 0.94 S1PR1 (0.34) S1PR1S1PR5S1PR4S1PR3PRCP
SCHEMBL19485634 0.94 S1PR1 (0.34) S1PR1S1PR5S1PR4S1PR3PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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