SCHEMBL17834733

SCHEMBL17834733

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc([C@H]5CC[C@H](C(F)(F)F)CC5)cc4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.34
▸ S1PR5 Q9H228 4/20 0.34
▸ PRCP P42785 1/20 0.33
▸ S1PR4 O95977 3/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ PYGL P06737 1/20 0.33
▸ CCR1 P32246 3/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ KIFC1 Q9BW19 2/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ F2R P25116 1/20 0.31
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL17834731 1.00 S1PR1 (0.34) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL19481406 0.96 S1PR1 (0.34) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL17995219 0.94 S1PR1 (0.34) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL19485634 0.94 S1PR1 (0.34) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL17834485 0.94 S1PR1 (0.34) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL17834650 0.92 S1PR1 (0.35) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL17834841 0.92 S1PR1 (0.35) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL17834844 0.92 S1PR1 (0.35) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL17834771 0.92 S1PR1 (0.39) S1PR1S1PR5PRCPS1PR4S1PR3
SCHEMBL19485625 0.91 S1PR1 (0.34) S1PR1S1PR5PRCPS1PR4S1PR3

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
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-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 S1PR1 486/4885S1PR5 889/4885PRCP 600/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR5 889/4885PRCP 600/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR1 523/4885S1PR5 939/4885PRCP 775/4885

“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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