SCHEMBL178074

SCHEMBL178074

CCCOc1ccc(-c2nc(-c3ccc(OC(C)C)c(I)c3)no2)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR3 Q99500 11/20 0.54
KCNH2 Q12809 2/20 0.53
S1PR5 Q9H228 3/20 0.49
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48

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
SCHEMBL15662517 0.88 S1PR1 (0.51) S1PR1S1PR3KCNH2S1PR5
SCHEMBL177399 0.86 S1PR1 (0.56) S1PR1S1PR3KCNH2
SCHEMBL9996202 0.86 SMN1; SMN2 (0.58) S1PR1S1PR3S1PR5
SCHEMBL177147 0.85 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL15662234 0.85 S1PR1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL177998 0.81 MAPT (0.47) S1PR1
SCHEMBL15662869 0.80 MAP4K4 (0.52) S1PR1S1PR3S1PR5
SCHEMBL15662891 0.80 MAP4K4 (0.56) S1PR1S1PR3S1PR5
SCHEMBL177134 0.79 SMN1; SMN2 (0.67) S1PR1S1PR3
SCHEMBL15662884 0.79 MAP4K4 (0.46) S1PR1S1PR3

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 S1PR1 1/4885S1PR3 4/4885KCNH2 2183/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 4/4885KCNH2 2183/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885KCNH2 2091/4885

“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.