SCHEMBL2193187

SCHEMBL2193187

N#Cc1cc(-c2nc(-c3cccc4c3CCC4NCCO)no2)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.75
▸ S1PR4 O95977 3/20 0.75
▸ S1PR3 Q99500 3/20 0.75
▸ S1PR5 Q9H228 3/20 0.75
▸ S1PR2 O95136 2/20 0.75
▸ GPR183 P32249 1/20 0.75

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
SCHEMBL12420493 0.92 S1PR1 (0.75) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL12670145 0.88 S1PR1 (0.74) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL12669584 0.88 S1PR1 (0.69) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL19575327 0.87 S1PR1 (0.84) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL22280106 0.87 S1PR1 (0.77) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL19575326 0.87 S1PR1 (0.84) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL13417204 0.87 S1PR1 (0.84) S1PR1S1PR4S1PR3S1PR5S1PR2
Hydrochloric Acid SCHEMBL31424222 0.86 S1PR1 (0.85) S1PR1S1PR4S1PR3S1PR5S1PR2
Ozanimod SCHEMBL2195490 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5S1PR2
Ozanimod SCHEMBL1413256 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5S1PR2

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 32 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
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-20190224172-A1 COMPOUNDS AND METHODS FOR TREATING LUPUS RECEPTOS LLC 2019-07-25 — — US 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
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
WO-2018064356-A1 COMPOUNDS AND METHODS FOR TREATING LUPUS CELGENE INTERNATIONAL II SARL (CH) 2018-04-05 — — WO disclosed
US-20170320839-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2017-11-09 — — US disclosed
US-20170320839-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2017-11-09 — — US disclosed
US-20170320839-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2017-11-09 — — US disclosed
US-20130231326-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-09-05 — — US disclosed
US-20130231326-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-09-05 — — US disclosed
US-20130231326-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-09-05 — — US disclosed
US-8362048-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-29 — — US disclosed
US-8362048-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-29 — — US disclosed
US-8362048-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-29 — — US disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 — — US disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20190224172-A1 COMPOUNDS AND METHODS FOR TREATING LUPUS S1PR1, S1PR2, SSB S1PR1 1/4885S1PR4 5/4885S1PR3 4/4885
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR4 4/4885S1PR3 2/4885
US-20170320839-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR4 4/4885S1PR3 2/4885
US-10239846-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR4 4/4885S1PR3 2/4885
US-20130231326-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR4 4/4885S1PR3 2/4885

“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.

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