SCHEMBL565785

SCHEMBL565785

NC(CO)(CO)CCc1ccc(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.66
IDO1 P14902 4/20 0.54
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.47
CNR2 P34972 7/20 0.45
CNR1 P21554 3/20 0.45
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
GPR183 P32249 1/20 0.40
TNNC1 P63316 1/20 0.40
CERS2 Q96G23 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL176994 0.86 S1PR1 (0.75) S1PR1IDO1KDM4EHTTCNR2
SCHEMBL177127 0.78 S1PR1 (0.75) S1PR1IDO1KDM4EHTTCNR2
SCHEMBL7346173 0.76 KDM4E (0.65) S1PR1IDO1KDM4EHTTCNR2
SCHEMBL2041412 0.74 CNR2 (0.65) S1PR1IDO1KDM4EHTTCNR2
SCHEMBL2186845 0.74 KDM4E (0.74) S1PR1IDO1KDM4EHTTCNR2
SCHEMBL29051451 0.71 KDM4E (0.74) S1PR1IDO1KDM4EHTTCNR2
SCHEMBL564930 0.71 S1PR1 (0.52) S1PR1IDO1KDM4EHTTCNR2
SCHEMBL3590980 0.71 L3MBTL1 (0.75) IDO1KDM4EHTTCNR2CNR1
SCHEMBL2045110 0.71 CNR2 (0.64) S1PR1IDO1KDM4EHTTCNR2
SCHEMBL2187242 0.70 KDM4E (0.72) S1PR1IDO1KDM4EHTTALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP claimed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
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
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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
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 1/4885IDO1 1305/4885KDM4E 1701/4885

“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.