SCHEMBL564930

SCHEMBL564930

CC1(C)OCC(CCc2ccc(CCCn3cc(C(=O)C(F)(F)F)c4ccccc43)cc2)(N(C(=O)O)C(C)(C)C)CO1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
KDM4E B2RXH2 2/20 0.43
CNR2 P34972 11/20 0.40
CNR1 P21554 8/20 0.40
IDO1 P14902 3/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL565950 0.75 HDAC1 (0.48) CNR2CNR1SMN1; SMN2
SCHEMBL565105 0.74 KDM4E (0.42) S1PR1KDM4ECNR2CNR1IDO1
SCHEMBL176994 0.73 S1PR1 (0.75) S1PR1KDM4ECNR2CNR1IDO1
SCHEMBL565785 0.71 S1PR1 (0.66) S1PR1KDM4ECNR2CNR1IDO1
SCHEMBL566524 0.69 S1PR1 (0.43) S1PR1ALDH1A1SMN1; SMN2
SCHEMBL7346173 0.68 KDM4E (0.65) S1PR1KDM4ECNR2CNR1IDO1
SCHEMBL177127 0.68 S1PR1 (0.75) S1PR1KDM4ECNR2CNR1IDO1
SCHEMBL5446754 0.65 KDM4E (0.52) S1PR1KDM4ECNR2CNR1IDO1
SCHEMBL2041412 0.65 CNR2 (0.65) S1PR1KDM4ECNR2CNR1IDO1
SCHEMBL29051451 0.65 KDM4E (0.74) S1PR1KDM4ECNR2IDO1HTT

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 1/4885KDM4E 1701/4885CNR2 35/4885

“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.