SCHEMBL177147

SCHEMBL177147

CCCOc1ccc(-c2nc(-c3ccc(OC(C)C)c(I)c3)no2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.55
MAP4K4 O95819 2/20 0.55
MINK1 Q8N4C8 2/20 0.55
PRKCD Q05655 1/20 0.55
S1PR3 Q99500 3/20 0.50
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL15662891 0.95 MAP4K4 (0.56) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL15662734 0.93 S1PR1 (0.54) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL15662457 0.92 MAP4K4 (0.56) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL15662869 0.91 MAP4K4 (0.52) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL15662818 0.89 MAP4K4 (0.50) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL9996202 0.89 SMN1; SMN2 (0.58) S1PR1S1PR3S1PR5
SCHEMBL15662888 0.89 MAP4K4 (0.58) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL15662234 0.88 S1PR1 (0.47) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL15662097 0.86 S1PR1 (0.59) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL15662696 0.86 MAP4K4 (0.53) S1PR1MAP4K4MINK1PRKCDS1PR3

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 1/4885MAP4K4 2544/4885MINK1 1066/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885MAP4K4 2544/4885MINK1 1066/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885MAP4K4 2866/4885MINK1 953/4885

“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.