SCHEMBL290343

SCHEMBL290343

CC(C)c1c(CNCc2cc(F)cc(F)c2)c2cc(O)ccc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 8/20 0.54
POLB P06746 1/20 0.47
PLA2G2A P14555 5/20 0.45
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
YWHAH Q04917 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL337528 0.83 S1PR3 (0.51) S1PR3POLBPLA2G2AYWHAH
SCHEMBL805710 0.81 S1PR3 (0.80) S1PR3
SCHEMBL336432 0.77 PLA2G2A (0.54) S1PR3PLA2G2AGAAMAPTPKM
SCHEMBL2001937 0.77 PLA2G2A (0.60) S1PR3PLA2G2AGAAMAPTPKM
SCHEMBL290260 0.76 S1PR3 (0.53) S1PR3POLBPLA2G2AGAAMAPT
SCHEMBL10074903 0.75 S1PR3 (0.54) S1PR3PLA2G2AGAAMAPTPKM
SCHEMBL291421 0.72 S1PR3 (0.65) S1PR3PLA2G2AGAAMAPTPKM
SCHEMBL337802 0.72 S1PR3 (0.49) S1PR3PLA2G2AGAAMAPTPKM
SCHEMBL337803 0.72 S1PR3 (0.49) S1PR3PLA2G2AGAAMAPTPKM
SCHEMBL336671 0.72 MAPT (0.73) S1PR3PLA2G2AGAAMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US claimed
EP-2262497-A2 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION Allergan, Inc. (US) 2010-12-22 EP claimed
WO-2009117335-A2 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION ALLERGAN, INC. (US) 2009-09-24 WO claimed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US claimed
WO-2007112322-A2 INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-10-04 WO claimed
US-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2014-01-09 US disclosed
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-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-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye ALLERGAN, INC. (US) 2012-03-22 US disclosed
WO-2009117335-A2 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION ALLERGAN, INC. (US) 2009-09-24 WO disclosed
WO-2008141013-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2008-11-20 WO 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 (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-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN S1PR3, LPAR3, S1PR2 S1PR3 1/4885POLB 4595/4885PLA2G2A 188/4885
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist S1PR1, S1PR2, S1PR3 S1PR3 3/4885POLB 2873/4885PLA2G2A 630/4885
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye S1PR3, S1PR1, S1PR2 S1PR3 1/4885POLB 4189/4885PLA2G2A 92/4885

“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.