SCHEMBL1015940

SCHEMBL1015940

COC(=O)c1ccc(OCC2CC2)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PDE4B Q07343 5/20 0.46
PDE4A P27815 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
AR P10275 1/20 0.44

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
SCHEMBL30863556 0.88 XDH (0.43) XDHNPC1RAB9AALDH1A1HPGD
SCHEMBL31160569 0.87 TSHR (0.47) XDHNPC1RAB9AALDH1A1
SCHEMBL1017998 0.85 XDH (0.63) XDHALDH1A1HPGD
SCHEMBL28033753 0.85 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL31160608 0.84 GPR119 (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL1013056 0.84 XDH (0.53) XDHNPC1RAB9AALDH1A1HPGD
SCHEMBL5874030 0.83 ALDH1A1 (0.56) XDHNPC1RAB9AALDH1A1HPGD
SCHEMBL21854424 0.83 ALDH1A1 (0.55) XDHNPC1RAB9AALDH1A1HPGD
SCHEMBL2090601 0.82 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL4278555 0.82 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
US-10239846-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis CELGENE INTERNATIONAL II SÀRL (CH) 2019-03-26 US disclosed
EP-3406142-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Celgene International II Sàrl (CH) 2018-11-28 EP disclosed
CN-105061350-B The sphingosine 1-phosphate receptor modulators and Chiral Synthesis of selectivity 赛尔基因第二国际有限公司 2018-05-29 CN disclosed
US-20170320839-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2017-11-09 US disclosed
US-20170165236-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH RECEPTOS LLC 2017-06-15 US disclosed
EP-3062792-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH Celgene International II Sarl (CH) 2016-09-07 EP disclosed
US-9388147-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis Celgene International II Sárl (CH) 2016-07-12 US disclosed
US-20150299149-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 US disclosed
WO-2015066515-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH RECEPTOS, INC. (US) 2015-05-07 WO disclosed
EP-2498610-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Receptos, Inc. (US) 2012-09-19 EP disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 US disclosed
WO-2011060392-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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 (6 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 XDH 106/4885NPC1 70/4885RAB9A 1887/4885
US-20150299149-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 XDH 4139/4885NPC1 479/4885RAB9A 2613/4885
US-20170165236-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH S1PR1, S1PR2, S1PR4 XDH 4341/4885NPC1 1050/4885RAB9A 3941/4885
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 XDH 4159/4885NPC1 477/4885RAB9A 2595/4885
US-20170320839-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 XDH 4139/4885NPC1 479/4885RAB9A 2613/4885
US-10239846-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis S1PR1, S1PR3, S1PR2 XDH 4139/4885NPC1 479/4885RAB9A 2613/4885

“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.