SCHEMBL2413872

SCHEMBL2413872

COC(=O)C(CCOCc1ccccc1)CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
PPARG P37231 1/20 0.42
MMP3 P08254 5/20 0.42
MMP8 P22894 4/20 0.42
MMP1 P03956 4/20 0.42
MMP9 P14780 3/20 0.42
CTSS P25774 1/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 1/20 0.41
KLK5 Q9Y337 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
USP2 O75604 1/20 0.40
LTA4H P09960 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2413866 1.00 PPARA (0.46) PPARAL3MBTL1PPARGMMP3MMP8
SCHEMBL2410585 0.89 PPARA (0.49) PPARAL3MBTL1PPARGMMP3MMP8
SCHEMBL2410580 0.89 PPARA (0.49) PPARAL3MBTL1PPARGMMP3MMP8
SCHEMBL17756152 0.89 PPARA (0.49) PPARAL3MBTL1PPARGMMP3MMP8
SCHEMBL4831220 0.85 CTSK (0.46) MMP3MMP1MMP9CTSSKMT2A
SCHEMBL9574058 0.85 CTSK (0.46) MMP3MMP1MMP9CTSSKMT2A
SCHEMBL2415172 0.84 KMT2A (0.48) MMP3MMP8MMP1MMP9KMT2A
SCHEMBL2413869 0.83 SLC15A1 (0.44) MMP3MMP8MMP1MMP9KMT2A
SCHEMBL15684087 0.82 L3MBTL1 (0.51) PPARAL3MBTL1PPARGMMP3MMP8
SCHEMBL14243701 0.82 L3MBTL1 (0.51) PPARAL3MBTL1PPARGMMP3MMP8

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-2542554-B1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARM INC (US) 2015-11-04 EP disclosed
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-9085581-B2 Processes for the preparation of S1P1 receptor modulators and crystalline forms thereof ARENA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
EP-2542554-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF Arena Pharmaceuticals, Inc. (US) 2013-01-09 EP disclosed
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 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 (2 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-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 PPARA 274/4885L3MBTL1 3249/4885PPARG 485/4885
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 PPARA 279/4885L3MBTL1 3238/4885PPARG 481/4885

“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.