SCHEMBL178195

SCHEMBL178195

CCCOc1ccc(-c2nc(-c3ccc4oc(C5(NC(=O)O)COC(C)(C)OC5)cc4c3)no2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
S1PR3 Q99500 2/20 0.43
TPH1 P17752 2/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
XBP1 P17861 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA2 Q15596 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL15662834 0.94 SMN1; SMN2 (0.52) S1PR1SMN1; SMN2S1PR3TPH1MAPT
SCHEMBL177239 0.92 S1PR1 (0.46) S1PR1S1PR3TPH1MAPTKDM4E
SCHEMBL177420 0.92 S1PR1 (0.56) S1PR1S1PR3TP53BCHEACHE
SCHEMBL15662786 0.92 S1PR1 (0.45) S1PR1S1PR3TPH1BCHEACHE
SCHEMBL177259 0.91 S1PR1 (0.53) S1PR1SMN1; SMN2S1PR3MAPTKDM4E
SCHEMBL17797397 0.91 S1PR1 (0.45) S1PR1SMN1; SMN2S1PR3TPH1MAPT
SCHEMBL177654 0.90 S1PR1 (0.45) S1PR1S1PR3
SCHEMBL15661580 0.90 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL177591 0.89 S1PR1 (0.43) S1PR1S1PR3MAPTTP53
SCHEMBL177590 0.89 S1PR1 (0.43) S1PR1S1PR3MAPTTP53

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 9 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
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 1/4885SMN1; SMN2 3064/4885S1PR3 4/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885SMN1; SMN2 3064/4885S1PR3 4/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885SMN1; SMN2 2073/4885S1PR3 4/4885

“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.