SCHEMBL177172

SCHEMBL177172

CC(C)Oc1ccc(Br)cc1C(=O)C#Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
VCP P55072 2/20 0.44
LRRK2 Q5S007 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
AGTR1 P30556 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL1534734 0.85 POLB (0.49) ARVCPMEN1KMT2APOLB
SCHEMBL1534499 0.77 GPR27 (0.45) VCPMEN1KMT2APOLBNPSR1
SCHEMBL4037723 0.77 HNF4A (0.56) VCPIRAK4
SCHEMBL8653653 0.76 KMT2A (0.48) VCPMEN1KMT2APOLBL3MBTL1
SCHEMBL31606917 0.73 AR (0.47) ARLRRK2MEN1KMT2AIRAK4
SCHEMBL1534521 0.72 ALDH1A1 (0.44) VCPMEN1KMT2APOLBL3MBTL1
SCHEMBL1534450 0.72 LCK (0.50) VCPMEN1KMT2APOLBL3MBTL1
SCHEMBL14159152 0.72 IRAK4 (0.59) VCPKMT2AIRAK4NPC1RAB9A
SCHEMBL8512426 0.72 HSD17B10 (0.52) ARLRRK2MEN1KMT2AIRAK4
SCHEMBL4041321 0.71 PTPN11 (0.47) VCPIRAK4L3MBTL1LMNA

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 AR 1134/4885VCP 4088/4885LRRK2 962/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 AR 1134/4885VCP 4088/4885LRRK2 962/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 AR 2207/4885VCP 3701/4885LRRK2 1234/4885

“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.