SCHEMBL564904

SCHEMBL564904

CCCCCCCCc1ccc2c(ccn2CC2(NC(=O)O)COC(C)(C)OC2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
OXER1 Q8TDS5 2/20 0.46
PLA2G4A P47712 12/20 0.42
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
PLK1 P53350 1/20 0.36

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 0.88 S1PR1 (0.41) S1PR1OXER1PLA2G4AKCNQ3KCNQ2
SCHEMBL566312 0.85 S1PR1 (0.40) S1PR1OXER1PLK1
SCHEMBL566313 0.79 S1PR1 (0.47) S1PR1PLK1
SCHEMBL566155 0.77 MOGAT2 (0.40) S1PR1PLK1
SCHEMBL575036 0.77 S1PR1 (0.49) S1PR1PLK1
SCHEMBL565911 0.76 MOGAT2 (0.45) S1PR1PLK1
SCHEMBL177319 0.76 SPHK1 (0.43) S1PR1PLK1
SCHEMBL566293 0.75 S1PR1 (0.43) S1PR1PLK1
SCHEMBL565825 0.74 S1PR1 (0.49) S1PR1PLK1
SCHEMBL566443 0.73 PPIA (0.36) S1PR1OXER1

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 1/4885OXER1 719/4885PLA2G4A 115/4885

“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.