SCHEMBL17834639

SCHEMBL17834639

CC(C)Cc1ccc(-c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
PYGL P06737 1/20 0.34
DPP4 P27487 1/20 0.34
KIFC1 Q9BW19 2/20 0.33
PRSS1 P07477 2/20 0.33
TMPRSS15 P98073 2/20 0.33
MPL P40238 1/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL17995211 0.95 DPP4 (0.37) S1PR1S1PR3ALOX5APFEN1PYGL
SCHEMBL17834636 0.94 PYGL (0.35) S1PR1ALOX5APFEN1PYGLDPP4
SCHEMBL17834419 0.94 S1PR1 (0.35) S1PR1S1PR3S1PR5ALOX5APFEN1
SCHEMBL17834881 0.94 S1PR1 (0.35) S1PR1S1PR3S1PR5ALOX5APFEN1
SCHEMBL17834633 0.94 F2 (0.35) S1PR1S1PR5ALOX5APFEN1PYGL
SCHEMBL17834634 0.94 PYGL (0.40) S1PR1PYGLDPP4
SCHEMBL19807154 0.93 ALOX5AP (0.36) S1PR1S1PR3S1PR5ALOX5APFEN1
SCHEMBL17834425 0.93 KIFC1 (0.38) S1PR1S1PR3S1PR4S1PR5ALOX5AP
SCHEMBL19485639 0.93 ALOX5AP (0.39) S1PR5ALOX5APFEN1PYGLKIFC1
SCHEMBL19807140 0.93 FEN1 (0.34) S1PR1ALOX5APFEN1PYGLDPP4

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 486/4885S1PR3 529/4885S1PR4 665/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR3 529/4885S1PR4 665/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR1 523/4885S1PR3 560/4885S1PR4 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.