SCHEMBL566444

SCHEMBL566444

CCCCCCCCc1ccc2c(c1)CN(CC1(NC(=O)OC(C)(C)C)COC(C)(C)OC1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.45
DRD2 P14416 1/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
MOGAT2 Q3SYC2 5/20 0.35
SPHK1 Q9NYA1 4/20 0.33
SPHK2 Q9NRA0 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL566313 0.87 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5MOGAT2
SCHEMBL566443 0.83 PPIA (0.36) S1PR1S1PR3SPHK1SPHK2PPARG
SCHEMBL2724637 0.81 THRA (0.40) SPHK1SPHK2
SCHEMBL566314 0.81 S1PR1 (0.41) S1PR1
SCHEMBL565911 0.80 MOGAT2 (0.45) S1PR1MOGAT2
SCHEMBL565901 0.80 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL565924 0.80 LYPLA1 (0.33) S1PR1PPARGPPARA
SCHEMBL2052924 0.78 PPARA (0.33) SPHK1SPHK2PPARGPPARA
SCHEMBL566155 0.76 MOGAT2 (0.40) S1PR1S1PR3S1PR4S1PR5MOGAT2
SCHEMBL2011380 0.75 LPL (0.38) SPHK1SPHK2PPARGPPARA

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 1/4885DRD2 1786/4885S1PR3 3/4885

“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.