SCHEMBL565825

SCHEMBL565825

CCCCCCCCc1ccc(CNCC2(NC(=O)O)COC(C)(C)OC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.49
S1PR3 Q99500 12/20 0.49
S1PR2 O95136 10/20 0.49
S1PR4 O95977 7/20 0.46
PLK1 P53350 6/20 0.44
LPAR2 Q9HBW0 3/20 0.43
S1PR5 Q9H228 1/20 0.43
PLK3 Q9H4B4 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
SCHEMBL177319 0.87 SPHK1 (0.43) S1PR1S1PR3S1PR4PLK1S1PR5
SCHEMBL15796719 0.77 CYP4A11 (0.41) PLK1PLK3
SCHEMBL14721999 0.76 PPARA (0.34) PLK1PLK3
SCHEMBL566312 0.76 S1PR1 (0.40) S1PR1S1PR3S1PR2PLK1PLK3
SCHEMBL566313 0.75 S1PR1 (0.47) S1PR1S1PR3S1PR4PLK1S1PR5
SCHEMBL2830564 0.74 NPC1 (0.39)
SCHEMBL564904 0.74 S1PR1 (0.46) S1PR1PLK1
SCHEMBL566155 0.74 MOGAT2 (0.40) S1PR1S1PR3S1PR4PLK1S1PR5
SCHEMBL177241 0.73 S1PR1 (0.49) S1PR1S1PR3S1PR2S1PR4LPAR2
SCHEMBL8499155 0.73 SPHK1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (1 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR2 4/4885

“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.