SCHEMBL566353

SCHEMBL566353

CC1(C)OCC(CN2CCc3cc(O)ccc3C2)(NC(=O)O)CO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.41
CA9 Q16790 1/20 0.40
ESR1 P03372 5/20 0.39
SLC6A5 Q9Y345 2/20 0.38
DRD2 P14416 5/20 0.38
DRD3 P35462 4/20 0.38
DRD4 P21917 3/20 0.38
DRD1 P21728 2/20 0.38
ACACB O00763 1/20 0.37
DRD5 P21918 1/20 0.36
PRMT5 O14744 1/20 0.35
LTA4H P09960 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
SCHEMBL566494 0.84 CARM1 (0.53) ACACBPRMT5
SCHEMBL565911 0.83 MOGAT2 (0.45) ACACB
SCHEMBL564864 0.82 NOTUM (0.34) ESR2ESR1
SCHEMBL565997 0.80 CARM1 (0.45)
SCHEMBL566155 0.76 MOGAT2 (0.40)
SCHEMBL564883 0.75 CD274 (0.45) DRD2DRD3ACACBPRMT5
SCHEMBL566313 0.73 S1PR1 (0.47)
SCHEMBL7798156 0.70 ITGB3 (0.54) ESR2CA9ESR1SLC6A5DRD2
SCHEMBL2471042 0.69 CA1 (0.44) DRD2DRD3DRD4
SCHEMBL565044 0.69 ESR2 (0.42) ESR2ESR1DRD2

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 ESR2 958/4885CA9 4761/4885ESR1 1004/4885

“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.