SCHEMBL177276

SCHEMBL177276

COC(=O)C1CN(Cc2ccc(OCc3coc4ccc(Cl)cc34)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 12/20 0.55
S1PR1 P21453 11/20 0.55
LTK P29376 1/20 0.55
TAOK1 Q7L7X3 1/20 0.55
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAOB P27338 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PRKX P51817 1/20 0.41
ACVR1 Q04771 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PDGFRA P16234 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL177396 0.89 S1PR5 (0.69) S1PR5S1PR1LTKTAOK1HTR2A
SCHEMBL9996172 0.79 S1PR5 (0.47) S1PR5S1PR1LTKTAOK1ALDH1A1
SCHEMBL16695370 0.75 S1PR5 (0.61) S1PR5S1PR1
SCHEMBL3047261 0.71 S1PR5 (1.00) S1PR5S1PR1LTKTAOK1HTR2A
SCHEMBL177137 0.70 PTPN1 (0.47) ALDH1A1KDM4EKCNH2MAOBHSD17B10
SCHEMBL3044025 0.68 S1PR5 (0.82) S1PR5S1PR1LTKTAOK1HTR2A
SCHEMBL12269427 0.67 ALDH1A1 (0.56) S1PR5S1PR1ALDH1A1KDM4E
SCHEMBL1159930 0.67 S1PR1 (0.44) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL29288200 0.67 MAOB (0.67) S1PR5S1PR1LTKTAOK1HTR2A
SCHEMBL6616917 0.67 S1PR5 (0.60) S1PR5S1PR1ALDH1A1KDM4EHSD17B10

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 S1PR5 2/4885S1PR1 1/4885LTK 275/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR5 2/4885S1PR1 1/4885LTK 275/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR5 3/4885S1PR1 1/4885LTK 530/4885

“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.