SCHEMBL177272

SCHEMBL177272

CC(C)Oc1ccc(C(=N)NO)cc1I

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KLK1 P06870 1/20 0.37
F2 P00734 2/20 0.36
POLB P06746 1/20 0.36
XDH P47989 1/20 0.36
PLAU P00749 2/20 0.34
ST14 Q9Y5Y6 1/20 0.34
RORC P51449 1/20 0.33
PDK1 Q15118 1/20 0.33
EP300 Q09472 1/20 0.32
BCL2L1 Q07817 1/20 0.32

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
SCHEMBL15662162 0.88 HDAC1 (0.40) HDAC1HDAC8HDAC6F2POLB
SCHEMBL1963358 0.83 PLAU (0.43) HDAC1HDAC8HDAC6F2POLB
SCHEMBL1963869 0.81 RORC (0.49) HDAC1HDAC8HDAC6F2RORC
SCHEMBL1964098 0.78 RXRA (0.45) HDAC1HDAC8HDAC6POLB
SCHEMBL22396445 0.78 HDAC1 (0.46) HDAC1HDAC8HDAC6POLBXDH
SCHEMBL23876904 0.78 XDH (0.47) XDH
SCHEMBL31291770 0.76 MGLL (0.50) HDAC1HDAC8HDAC6XDHBCL2L1
SCHEMBL15499277 0.76 F2 (0.47) HDAC1HDAC8HDAC6KLK1F2
SCHEMBL29010158 0.76 ALDH1A1 (0.52) HDAC1HDAC8HDAC6POLBXDH
SCHEMBL31325690 0.76 KMT2A (0.53) HDAC1HDAC8HDAC6XDHEP300

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 HDAC1 2099/4885HDAC8 2302/4885HDAC6 2554/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 HDAC1 2099/4885HDAC8 2302/4885HDAC6 2554/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 HDAC1 2219/4885HDAC8 1948/4885HDAC6 2588/4885

“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.