SCHEMBL1601398

SCHEMBL1601398

Oc1ccc(-c2cc3cc(Cc4ccccc4)ccc3o2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.62
S1PR3 Q99500 4/20 0.62
KCNH2 Q12809 1/20 0.62
APP P05067 3/20 0.47
ALOX5 P09917 2/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
FFAR1 O14842 1/20 0.41
PTGES O14684 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4438086 0.85 S1PR1 (0.63) S1PR1S1PR3KCNH2ALOX5MAOB
SCHEMBL2415612 0.84 S1PR1 (0.49) S1PR1S1PR3KCNH2APPALOX5
SCHEMBL4441949 0.83 S1PR1 (0.63) S1PR1S1PR3KCNH2MAOBMAOA
SCHEMBL1601330 0.83 S1PR1 (0.60) S1PR1S1PR3KCNH2MAOBMAOA
SCHEMBL1601045 0.82 S1PR1 (0.57) S1PR1S1PR3KCNH2MAOBMAOA
SCHEMBL1602923 0.82 S1PR1 (0.63) S1PR1S1PR3KCNH2APPMAOB
SCHEMBL3927440 0.82 APP (0.59) APPPTGESESR1ESR2PDE4D
SCHEMBL12319179 0.80 MEN1 (0.56) APPALOX5MAOBMAOAPTGES
SCHEMBL1601733 0.78 S1PR1 (1.00) S1PR1S1PR3KCNH2
SCHEMBL1602324 0.78 S1PR1 (0.52) S1PR1S1PR3KCNH2ALOX5MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-03-10 US disclosed
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-03-10 US disclosed
US-20080064677-A9 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2008-03-13 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO 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
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.