SCHEMBL1979185

SCHEMBL1979185

O=P(O)(O)CCCNCc1ccc(OCCCCCc2ccccc2)c(-c2cccs2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 20/20 0.49
S1PR2 O95136 14/20 0.49
S1PR1 P21453 14/20 0.49
S1PR4 O95977 3/20 0.49
LPAR2 Q9HBW0 12/20 0.42
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL18601663 0.85 NR1H4 (0.38)
SCHEMBL15042602 0.85 HDAC1 (0.36) S1PR3S1PR1S1PR5
SCHEMBL1979555 0.82 S1PR2 (0.52) S1PR3S1PR2S1PR1S1PR4LPAR2
SCHEMBL35846 0.82 S1PR3 (0.67) S1PR3S1PR2S1PR1S1PR4LPAR2
SCHEMBL1979158 0.82 S1PR3 (0.51) S1PR3S1PR2S1PR1S1PR4LPAR2
SCHEMBL36206 0.78 S1PR3 (0.66) S1PR3S1PR2S1PR1S1PR4LPAR2
SCHEMBL15041925 0.75 S1PR2 (0.55) S1PR3S1PR2S1PR1S1PR4LPAR2
SCHEMBL1981804 0.75 S1PR1 (0.50) S1PR3S1PR2S1PR1S1PR4LPAR2
SCHEMBL15022579 0.75 S1PR2 (0.55) S1PR3S1PR2S1PR1S1PR4LPAR2
SCHEMBL15022717 0.75 S1PR2 (0.55) S1PR3S1PR2S1PR1S1PR4LPAR2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504323-B1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2017-03-15 EP claimed
US-20140107075-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-04-17 US claimed
US-8440644-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2013-05-14 US claimed
EP-2504323-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-10-03 EP claimed
WO-2011066184-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-06-03 WO claimed
EP-2504323-B1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2017-03-15 EP disclosed
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-8741875-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-06-03 US disclosed
US-8703745-B1 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-04-22 US disclosed
US-20140107075-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-04-17 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 US disclosed
US-8440644-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2013-05-14 US disclosed
EP-2504323-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-10-03 EP disclosed
WO-2011066184-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-06-03 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-20140107075-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 S1PR3 2/4885S1PR2 3/4885S1PR1 1/4885
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 S1PR3 2/4885S1PR2 3/4885S1PR1 1/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 S1PR3 2/4885S1PR2 3/4885S1PR1 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.