SCHEMBL566443

SCHEMBL566443

CCCCCCCCc1ccc2cn(CC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.36
S1PR1 P21453 2/20 0.35
GLS O94925 2/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
CNR2 P34972 1/20 0.33
S1PR3 Q99500 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 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
SCHEMBL566314 0.87 S1PR1 (0.41) PPIAS1PR1OXER1
SCHEMBL566312 0.87 S1PR1 (0.40) S1PR1PPARGPPARAS1PR3THRA
SCHEMBL566444 0.83 S1PR1 (0.45) S1PR1PPARGPPARAS1PR3SPHK1
SCHEMBL2724637 0.82 THRA (0.40) THRATHRBSPHK1SPHK2
SCHEMBL565901 0.81 SPHK1 (0.39) THRATHRBSPHK1SPHK2
SCHEMBL565924 0.80 LYPLA1 (0.33) PPIAS1PR1PPARGPPARACNR2
SCHEMBL2052924 0.79 PPARA (0.33) GLSPPARGPPARATHRATHRB
SCHEMBL15662783 0.77 S1PR1 (0.35) S1PR1GLSPPARGPPARAS1PR3
SCHEMBL15662833 0.76 GLS (0.35) S1PR1GLSPPARGPPARAS1PR3
SCHEMBL2011380 0.75 LPL (0.38) GLSPPARGPPARATHRATHRB

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 PPIA 3312/4885S1PR1 1/4885GLS 2493/4885

“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.