SCHEMBL565984

SCHEMBL565984

CC1(C)OCC(CN2CCc3cc(CCc4ccc(-c5ccccc5C(F)(F)F)cc4)ccc32)(N(C(=O)O)C(C)(C)C)CO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EPHX2 P34913 1/20 0.37
CNR2 P34972 4/20 0.36
S1PR1 P21453 8/20 0.34
S1PR3 Q99500 5/20 0.34
MTTP P55157 1/20 0.33
AR P10275 1/20 0.32
ALOX5 P09917 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL566409 0.72 S1PR1 (0.58) SLC13A5POLBRXFP1CNR2S1PR1
SCHEMBL566609 0.68 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL566392 0.64 HTT (0.36) CNR2S1PR1S1PR3
SCHEMBL564883 0.64 CD274 (0.45) EPHX2S1PR1
SCHEMBL566288 0.63 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL566524 0.63 S1PR1 (0.43) S1PR1
SCHEMBL575036 0.62 S1PR1 (0.49) S1PR1
SCHEMBL3909426 0.62 DHODH (0.49) POLBRXFP1S1PR1S1PR3
SCHEMBL566357 0.62 THRB (0.45) POLB
SCHEMBL13380526 0.62 S1PR1 (0.39) SLC13A5EPHX2CNR2S1PR1S1PR3

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 SLC13A5 4238/4885POLB 4275/4885RXFP1 440/4885

“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.