SCHEMBL565911

SCHEMBL565911

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 7/20 0.45
S1PR1 P21453 3/20 0.42
ACACB O00763 3/20 0.35
MLNR O43193 2/20 0.35
PLK1 P53350 3/20 0.35
PLK3 Q9H4B4 1/20 0.35
KAT8 Q9H7Z6 2/20 0.34

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
SCHEMBL566155 0.94 MOGAT2 (0.40) MOGAT2S1PR1MLNRPLK1PLK3
SCHEMBL566313 0.93 S1PR1 (0.47) MOGAT2S1PR1PLK1PLK3KAT8
SCHEMBL575036 0.84 S1PR1 (0.49) MOGAT2S1PR1PLK1PLK3KAT8
SCHEMBL566293 0.81 S1PR1 (0.43) S1PR1PLK1PLK3
SCHEMBL566444 0.80 S1PR1 (0.45) MOGAT2S1PR1
SCHEMBL566312 0.78 S1PR1 (0.40) S1PR1PLK1PLK3KAT8
SCHEMBL566494 0.78 CARM1 (0.53) S1PR1ACACB
SCHEMBL564904 0.76 S1PR1 (0.46) S1PR1PLK1
SCHEMBL177319 0.74 SPHK1 (0.43) S1PR1PLK1PLK3
SCHEMBL565825 0.72 S1PR1 (0.49) S1PR1PLK1PLK3

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 2 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

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 1672/4885S1PR1 1/4885ACACB 3042/4885

“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.