SCHEMBL566448

SCHEMBL566448

CCCc1ccc(-c2nc(-c3cccc4c3CCN4CC3(NC(=O)O)COC(C)(C)OC3)no2)cc1CCC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.60
S1PR3 Q99500 4/20 0.60
NR1H4 Q96RI1 1/20 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
SCHEMBL566415 0.90 S1PR1 (0.58) S1PR1S1PR3NR1H4
SCHEMBL566754 0.88 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL565141 0.86 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL566366 0.86 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL566737 0.86 S1PR1 (0.53) S1PR1S1PR3NR1H4
SCHEMBL566584 0.85 S1PR1 (0.61) S1PR1S1PR3NR1H4
SCHEMBL566147 0.85 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL566047 0.84 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL566288 0.83 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL565000 0.81 S1PR1 (0.52) S1PR1S1PR3

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 1/4885S1PR3 3/4885NR1H4 519/4885

“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.