SCHEMBL2166549

SCHEMBL2166549

CC(C)(C)[S@@+]([O-])/N=C1\CCc2c(Br)cccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.45
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
PIM1 P11309 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK5 Q00535 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL1876278 1.00 GPR3 (0.45) GPR3PARP10PARP11PIM1CSNK1A1
SCHEMBL2166282 1.00 GPR3 (0.45) GPR3PARP10PARP11PIM1CSNK1A1
SCHEMBL2166290 1.00 GPR3 (0.45) GPR3PARP10PARP11PIM1CSNK1A1
SCHEMBL2166281 1.00 GPR3 (0.45) GPR3PARP10PARP11PIM1CSNK1A1
SCHEMBL2166554 1.00 GPR3 (0.45) GPR3PARP10PARP11PIM1CSNK1A1
SCHEMBL2166284 1.00 GPR3 (0.45) GPR3PARP10PARP11PIM1CSNK1A1
SCHEMBL25433484 0.82 GPR3 (0.45) GPR3
SCHEMBL31207882 0.82 GPR3 (0.45) GPR3
SCHEMBL25433489 0.82 GPR3 (0.45) GPR3
SCHEMBL31207903 0.82 GPR3 (0.45) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706999-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2019-08-28 EP disclosed
EP-2498609-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2018-04-18 EP disclosed
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 US disclosed
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 US disclosed
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2015-10-22 US disclosed
US-20150252037-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2015-09-10 US disclosed
US-20140039183-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2014-02-06 US disclosed
US-8507538-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators RECEPTOS, INC. (US) 2013-08-13 US disclosed
US-20130196966-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-08-01 US disclosed
US-20130196966-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-08-01 US disclosed
US-8357706-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-22 US disclosed
US-8357706-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-22 US disclosed
WO-2012158550-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2012-11-22 WO disclosed
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2011-07-28 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US 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 (7 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-20130196966-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 GPR3 97/4885PARP10 2437/4885PARP11 1498/4885
US-20140039183-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GPR3 60/4885PARP10 2289/4885PARP11 1398/4885
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 GPR3 97/4885PARP10 2437/4885PARP11 1498/4885
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 GPR3 97/4885PARP10 2418/4885PARP11 1491/4885
US-20150252037-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GPR3 60/4885PARP10 2289/4885PARP11 1398/4885
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GPR3 58/4885PARP10 2284/4885PARP11 1397/4885
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GPR3 58/4885PARP10 2284/4885PARP11 1397/4885

“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.