SCHEMBL177072

SCHEMBL177072

CC1(C)OCC(NC(=O)O)(c2cc3cc(-c4noc(-c5ccc(-c6ccsc6)c(Cl)c5)n4)ccc3o2)CO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.39
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RARG P13631 3/20 0.32
S1PR3 Q99500 2/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAOB P27338 1/20 0.31
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31

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
SCHEMBL17797431 0.90 S1PR1 (0.38) S1PR1CA2CA9CA12CA1
SCHEMBL177257 0.86 S1PR1 (0.49) S1PR1NPC1RAB9ACA2CA9
SCHEMBL15662460 0.86 S1PR1 (0.40) S1PR1NPC1RAB9ACA2CA9
SCHEMBL15662108 0.82 S1PR1 (0.40) S1PR1RARARARBRARGS1PR3
SCHEMBL15662889 0.82 S1PR1 (0.48) S1PR1NPC1RAB9AS1PR3
SCHEMBL15662492 0.82 S1PR1 (0.49) S1PR1S1PR3MAP4K4MINK1
SCHEMBL177420 0.81 S1PR1 (0.56) S1PR1S1PR3MAP4K4MINK1
SCHEMBL15662323 0.80 S1PR1 (0.46) S1PR1RARARARBRARGS1PR3
SCHEMBL15662086 0.80 S1PR1 (0.52) S1PR1S1PR3MAP4K4MINK1
SCHEMBL15661431 0.79 S1PR1 (0.44) 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 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 1/4885NPC1 931/4885RAB9A 2478/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885NPC1 931/4885RAB9A 2478/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885NPC1 1465/4885RAB9A 2008/4885

“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.