SCHEMBL566293

SCHEMBL566293

CCCCCCCCc1ccc2c(c1)CCCN2CC1(NC(=O)O)COC(C)(C)OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
MAPT P10636 7/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 4/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
SMAD3 P84022 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 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
SCHEMBL575036 0.95 S1PR1 (0.49) S1PR1MAPTALDH1A1GAATP53
SCHEMBL566155 0.83 MOGAT2 (0.40) S1PR1SPHK1PLK1PLK3
SCHEMBL565919 0.82 CHRM2 (0.38) MAPTALDH1A1GAATP53LMNA
SCHEMBL565911 0.81 MOGAT2 (0.45) S1PR1PLK1PLK3
SCHEMBL566313 0.81 S1PR1 (0.47) S1PR1SPHK1PLK1PLK3
SCHEMBL566312 0.78 S1PR1 (0.40) S1PR1THRBPLK1PLK3
SCHEMBL566357 0.77 THRB (0.45) MAPTALDH1A1TP53LMNAKDM4E
SCHEMBL564864 0.77 NOTUM (0.34) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL566060 0.76 PRKCG (0.35) MAPTKDM4EHSD17B10
SCHEMBL564904 0.75 S1PR1 (0.46) S1PR1PLK1

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 1/4885MAPT 4146/4885ALDH1A1 3045/4885

“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.