SCHEMBL1603237

SCHEMBL1603237

O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 10/20 0.77
KCNH2 Q12809 1/20 0.75
S1PR5 Q9H228 1/20 0.54

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
SCHEMBL1602296 0.92 S1PR1 (0.85) S1PR1S1PR3KCNH2
SCHEMBL1602228 0.92 S1PR1 (1.00) S1PR1S1PR3KCNH2S1PR5
SCHEMBL1602267 0.90 S1PR1 (0.81) S1PR1S1PR3KCNH2
SCHEMBL1602506 0.89 S1PR1 (0.80) S1PR1S1PR3KCNH2S1PR5
SCHEMBL1602685 0.88 S1PR1 (0.79) S1PR1S1PR3KCNH2
SCHEMBL12269271 0.88 S1PR1 (0.78) S1PR1S1PR3KCNH2S1PR5
SCHEMBL1602664 0.87 S1PR1 (1.00) S1PR1S1PR3KCNH2
SCHEMBL1603512 0.86 S1PR1 (0.75) S1PR1S1PR3KCNH2
SCHEMBL1602237 0.86 S1PR1 (0.82) S1PR1S1PR3KCNH2
SCHEMBL1603309 0.86 S1PR1 (0.79) S1PR1S1PR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-03-10 US claimed
US-7855193-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-21 US claimed
JP-2010522162-A 2010-07-01 JP claimed
EP-2121648-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX Pharmaceuticals, Inc. (US) 2009-11-25 EP claimed
EP-1965807-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF Epix Delaware, Inc. (US) 2008-09-10 EP claimed
US-20080064677-A9 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2008-03-13 US claimed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US claimed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO claimed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US claimed
WO-2007061458-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-05-31 WO claimed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
WO-2007061458-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-05-31 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885KCNH2 2959/4885
US-20080064677-A9 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885KCNH2 2959/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885KCNH2 2959/4885
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885KCNH2 2959/4885
US-20070173487-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885KCNH2 2959/4885

“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.