SCHEMBL177137

SCHEMBL177137

O=Cc1ccc(OCc2coc3ccc(Cl)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
UBE2N P61088 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR4A2 P43354 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.38
DAO P14920 1/20 0.38
SLC26A4 O43511 1/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8424941 0.76 NR4A2 (0.62) PTPN1ALDH1A1L3MBTL1UBE2NKMT2A
SCHEMBL177396 0.72 S1PR5 (0.69) KCNH2
SCHEMBL4452486 0.71 PTPN1 (0.50) PTPN1MAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL15898857 0.70 PTPN1 (0.41) PTPN1MAOAMAOBALDH1A1KDM4E
SCHEMBL17321014 0.70 PDE10A (0.43) PTPN1MAOBALDH1A1KDM4ERAB9A
SCHEMBL5542384 0.70 PTPN1 (0.48) PTPN1MAOBALDH1A1KDM4EHSD17B10
SCHEMBL2282797 0.70 MAOB (0.61) PTPN1MAOAMAOBALDH1A1KDM4E
SCHEMBL9129213 0.70 MAOB (0.61) PTPN1MAOAMAOBALDH1A1KDM4E
SCHEMBL29966939 0.69 MAOB (0.55) PTPN1MAOAMAOBALDH1A1KDM4E
SCHEMBL28874645 0.69 MAOB (0.55) PTPN1MAOAMAOBALDH1A1KDM4E

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 PTPN1 1154/4885MAOA 3643/4885MAOB 3603/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 PTPN1 1154/4885MAOA 3643/4885MAOB 3603/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 PTPN1 1484/4885MAOA 3761/4885MAOB 3877/4885

“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.