SCHEMBL566760

SCHEMBL566760

CCOc1ccc(-c2nc(-c3ccc4c(c3)CN(CC(N)(CO)CO)C4)no2)cc1OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 1.00
S1PR3 Q99500 10/20 1.00
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL10139303 0.93 S1PR1 (0.86) S1PR1S1PR3SMN1; SMN2
SCHEMBL566013 0.83 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2
SCHEMBL566289 0.82 S1PR1 (0.69) S1PR1S1PR3SMN1; SMN2NPC1RAB9A
SCHEMBL566124 0.81 S1PR1 (0.68) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL566213 0.80 S1PR1 (0.66) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL176871 0.75 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL565019 0.74 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL9996169 0.74 S1PR1 (0.67) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL15661625 0.74 S1PR1 (0.85) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL564891 0.73 S1PR1 (1.00) 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 11 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 claimed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US claimed
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-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 1/4885S1PR3 3/4885SMN1; SMN2 2442/4885

“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.