SCHEMBL177602

SCHEMBL177602

CC(C)Oc1ccc(C#N)cc1I

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ EIF4E P06730 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ AR P10275 4/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ SLC6A9 P48067 2/20 0.36
▸ XDH P47989 3/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ UGCG Q16739 1/20 0.33

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
SCHEMBL15662789 0.86 EIF4E (0.41) TTRALBEIF4EMKNK1MKNK2
SCHEMBL15494754 0.82 SLC6A9 (0.41) TTRALBMKNK2ARSLC6A9
SCHEMBL21079169 0.80 XDH (0.49) XDH
SCHEMBL10088433 0.80 AR (0.44) EIF4EMKNK1MKNK2ARIRAK4
SCHEMBL9627301 0.79 AR (0.51) TTRALBAR
SCHEMBL16957800 0.79 EIF4E (0.39) EIF4EMKNK1MKNK2ARIRAK4
SCHEMBL524718 0.79 SLC6A9 (0.45) EIF4EMKNK1MKNK2ARIRAK4
SCHEMBL6114176 0.79 POLB (0.43) EIF4EMKNK1MKNK2ARIRAK4
SCHEMBL524383 0.79 AR (0.55) EIF4EMKNK1MKNK2ARXDH
SCHEMBL1963697 0.79 AR (0.54) EIF4EMKNK1MKNK2ARKCNH2

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 TTR 4363/4885ALB 4849/4885EIF4E 3457/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 TTR 4363/4885ALB 4849/4885EIF4E 3457/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 TTR 4720/4885ALB 4884/4885EIF4E 3561/4885

“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.

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