SCHEMBL177420

SCHEMBL177420

CCCOc1ccc(-c2nc(-c3ccc4oc(C5(NC(=O)O)COC(C)(C)OC5)cc4c3)no2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.56
S1PR3 Q99500 2/20 0.39
MAP4K4 O95819 2/20 0.37
MINK1 Q8N4C8 2/20 0.37
TP53 P04637 1/20 0.36
DYRK3 O43781 1/20 0.36
MARK3 P27448 1/20 0.36
PLK1 P53350 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL15662086 0.96 S1PR1 (0.52) S1PR1S1PR3MAP4K4MINK1TP53
SCHEMBL15662829 0.94 S1PR1 (0.49) S1PR1S1PR3MAP4K4MINK1TP53
SCHEMBL15662889 0.94 S1PR1 (0.48) S1PR1S1PR3TP53
SCHEMBL15662323 0.92 S1PR1 (0.46) S1PR1S1PR3MAP4K4MINK1DYRK3
SCHEMBL15661824 0.92 S1PR1 (0.47) S1PR1S1PR3MAP4K4MINK1DYRK3
SCHEMBL177239 0.92 S1PR1 (0.46) S1PR1S1PR3BCHEACHE
SCHEMBL178195 0.92 S1PR1 (0.46) S1PR1S1PR3TP53BCHEACHE
SCHEMBL15662786 0.91 S1PR1 (0.45) S1PR1S1PR3BCHEACHE
SCHEMBL15662233 0.91 S1PR1 (0.44) S1PR1TP53
SCHEMBL177105 0.91 S1PR1 (0.55) S1PR1S1PR3MAP4K4MINK1

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 1/4885S1PR3 4/4885MAP4K4 2544/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 4/4885MAP4K4 2544/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885MAP4K4 2866/4885

“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.