SCHEMBL566155

SCHEMBL566155

CCCCCCCCc1ccc2c(c1)CCN(CC1(NC(=O)O)COC(C)(C)OC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 4/20 0.40
MLNR O43193 2/20 0.37
S1PR1 P21453 6/20 0.37
PLK1 P53350 3/20 0.36
PLK3 Q9H4B4 1/20 0.36
KAT8 Q9H7Z6 2/20 0.35
PPARA Q07869 1/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
SPHK2 Q9NRA0 1/20 0.35

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
SCHEMBL565911 0.94 MOGAT2 (0.45) MOGAT2MLNRS1PR1PLK1PLK3
SCHEMBL566313 0.89 S1PR1 (0.47) MOGAT2S1PR1PLK1PLK3KAT8
SCHEMBL575036 0.86 S1PR1 (0.49) MOGAT2S1PR1PLK1PLK3KAT8
SCHEMBL566293 0.83 S1PR1 (0.43) S1PR1PLK1PLK3SPHK1
SCHEMBL566312 0.80 S1PR1 (0.40) S1PR1PLK1PLK3KAT8PPARA
SCHEMBL564904 0.77 S1PR1 (0.46) S1PR1PLK1
SCHEMBL566444 0.76 S1PR1 (0.45) MOGAT2S1PR1PPARAS1PR3S1PR4
SCHEMBL177319 0.76 SPHK1 (0.43) S1PR1PLK1PLK3S1PR3S1PR4
SCHEMBL565825 0.74 S1PR1 (0.49) S1PR1PLK1PLK3S1PR3S1PR4
SCHEMBL566494 0.72 CARM1 (0.53) S1PR1

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 MOGAT2 1672/4885MLNR 1335/4885S1PR1 1/4885

“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.