SCHEMBL178137

SCHEMBL178137

CCCc1ccc(-c2nc(-c3ccc(OC(C)C)c(I)c3)no2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.48
MINK1 Q8N4C8 2/20 0.48
PRKCD Q05655 1/20 0.47
S1PR1 P21453 16/20 0.47
S1PR3 Q99500 10/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
S1PR5 Q9H228 6/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
S1PR4 O95977 1/20 0.43

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
SCHEMBL14175747 0.84 NPC1 (0.50) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL177249 0.84 MAP4K4 (0.57) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL177173 0.84 S1PR1 (0.49) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL177134 0.82 SMN1; SMN2 (0.67) S1PR1S1PR3ALDH1A1SMN1; SMN2NPC1
SCHEMBL15662282 0.81 S1PR1 (0.51) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL9996202 0.81 SMN1; SMN2 (0.58) S1PR1S1PR3ALDH1A1SMN1; SMN2NPC1
SCHEMBL15662882 0.80 SMN1; SMN2 (0.71) S1PR1S1PR3ALDH1A1SMN1; SMN2NPC1
SCHEMBL15662234 0.80 S1PR1 (0.47) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL177147 0.80 S1PR1 (0.55) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL178122 0.80 S1PR1 (0.51) S1PR1S1PR3ALDH1A1SMN1; SMN2NPC1

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
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
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 MAP4K4 2544/4885MINK1 1066/4885PRKCD 1062/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 MAP4K4 2544/4885MINK1 1066/4885PRKCD 1062/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 MAP4K4 2866/4885MINK1 953/4885PRKCD 1184/4885

“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.