SCHEMBL176998

SCHEMBL176998

CCCc1ccc(-c2nc(-c3ccc4oc(C5(NC(=O)O)COC(C)(C)OC5)cc4c3)no2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.44
S1PR5 Q9H228 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR3 Q99500 2/20 0.44
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TPH1 P17752 5/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
EIF4A1 P60842 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
SCHEMBL177104 0.87 S1PR1 (0.43) S1PR1S1PR5S1PR3NPC1MAPT
SCHEMBL15662108 0.86 S1PR1 (0.40) S1PR1S1PR5S1PR4S1PR3
SCHEMBL177259 0.84 S1PR1 (0.53) S1PR1S1PR3NPC1MAPTRAB9A
SCHEMBL15662323 0.84 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL15661909 0.84 S1PR1 (0.45) S1PR1S1PR5S1PR4S1PR3MAPT
SCHEMBL177239 0.83 S1PR1 (0.46) S1PR1S1PR5S1PR3NPC1MAPT
SCHEMBL178195 0.83 S1PR1 (0.46) S1PR1S1PR3MAPTSMN1; SMN2ALDH1A1
SCHEMBL177257 0.83 S1PR1 (0.49) S1PR1S1PR3NPC1MAPTRAB9A
SCHEMBL15662460 0.83 S1PR1 (0.40) S1PR1S1PR3NPC1MAPTRAB9A
SCHEMBL15662834 0.83 SMN1; SMN2 (0.52) S1PR1S1PR3NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR5 2/4885S1PR4 5/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR5 2/4885S1PR4 5/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885S1PR4 5/4885

“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.