SCHEMBL337528

SCHEMBL337528

COCOc1ccc2c(c1)c(CNCc1cc(F)cc(F)c1)c(C(C)C)n2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 15/20 0.51
POLB P06746 2/20 0.41
YWHAH Q04917 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
TP53 P04637 2/20 0.38

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
SCHEMBL290343 0.83 S1PR3 (0.54) S1PR3POLBYWHAHPLA2G2A
SCHEMBL337559 0.82 S1PR3 (0.51) S1PR3PLA2G1BPLA2G2A
SCHEMBL336487 0.79 S1PR3 (0.50) S1PR3POLBPLA2G1BPLA2G2A
SCHEMBL10075560 0.78 S1PR3 (0.51) S1PR3POLBPLA2G1BPLA2G2A
SCHEMBL337020 0.75 S1PR3 (0.59) S1PR3POLBPLA2G2A
SCHEMBL336683 0.72 S1PR3 (0.44) S1PR3POLBPLA2G1BPLA2G2A
SCHEMBL336682 0.72 S1PR3 (0.44) S1PR3POLBPLA2G1BPLA2G2A
SCHEMBL8235376 0.71 RAD52 (0.55) S1PR3POLBTP53
SCHEMBL805742 0.67 S1PR3 (1.00) S1PR3
SCHEMBL805710 0.65 S1PR3 (0.80) S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2014-01-09 US disclosed
US-8563594-B2 S1P3 receptor inhibitors for treating pain ALLERGAN, INC. (US) 2013-10-22 US disclosed
US-8563594-B2 S1P3 receptor inhibitors for treating pain ALLERGAN, INC. (US) 2013-10-22 US disclosed
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye ALLERGAN, INC. (US) 2012-03-22 US disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-20110009453-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION DONELLO JOHN E 2011-01-13 US disclosed
WO-2010129553-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING CONDITIONS OF THE EYE ALLERGAN, INC. (US) 2010-11-11 WO disclosed
US-20100249069-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN DONELLO JOHN E 2010-09-30 US disclosed
US-20100249069-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN DONELLO JOHN E 2010-09-30 US disclosed
WO-2008141013-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2008-11-20 WO disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
WO-2007112322-A2 INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-10-04 WO disclosed
WO-2007112322-A2 INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-10-04 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-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN S1PR3, LPAR3, S1PR2 S1PR3 1/4885POLB 4595/4885YWHAH 2220/4885
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist S1PR1, S1PR2, S1PR3 S1PR3 3/4885POLB 2873/4885YWHAH 512/4885
US-20110009453-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION S1PR3, S1PR1, S1PR2 S1PR3 1/4885POLB 4267/4885YWHAH 2877/4885
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye S1PR3, S1PR1, S1PR2 S1PR3 1/4885POLB 4189/4885YWHAH 2288/4885
US-20100249069-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN S1PR3, LPAR3, S1PR2 S1PR3 1/4885POLB 4595/4885YWHAH 2220/4885

“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.