SCHEMBL177565

SCHEMBL177565

COC(=O)C1CN(Cc2ccc(C(C)=CC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.47
CD274 Q9NZQ7 2/20 0.47
S1PR1 P21453 3/20 0.46
KDM4E B2RXH2 1/20 0.43
MCHR1 Q99705 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CXCR6 O00574 1/20 0.39
CXCR4 P61073 1/20 0.39
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL177732 0.91 PDCD1 (0.57) PDCD1CD274S1PR1KDM4E
SCHEMBL12057537 0.91 PDCD1 (0.57) PDCD1CD274S1PR1KDM4E
SCHEMBL177079 0.91 PDCD1 (0.57) PDCD1CD274S1PR1KDM4E
SCHEMBL15512178 0.78 PDCD1 (0.40) PDCD1CD274S1PR1KDM4ELMNA
SCHEMBL12038131 0.75 S1PR1 (0.59) S1PR1
SCHEMBL9996161 0.74 S1PR1 (0.82) S1PR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL177136 0.71 ABCG2 (0.57) POLBALDH1A1
SCHEMBL177135 0.71 ABCG2 (0.57) POLBALDH1A1
SCHEMBL16695370 0.71 S1PR5 (0.61) S1PR1
SCHEMBL3041986 0.70 PDCD1 (0.57) PDCD1CD274S1PR1SIGMAR1POLB

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 PDCD1 1961/4885CD274 1102/4885S1PR1 1/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 PDCD1 1961/4885CD274 1102/4885S1PR1 1/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 PDCD1 2561/4885CD274 1423/4885S1PR1 1/4885

“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.