SCHEMBL1601933

SCHEMBL1601933

c1ccc(Cc2ccc3oc(-c4ccc5c(c4)CCNC5)cc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.48
S1PR3 Q99500 2/20 0.46
FFAR1 O14842 1/20 0.40
ASIC3 Q9UHC3 3/20 0.40
KCNH2 Q12809 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PLAU P00749 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.37
PARP11 Q9NR21 1/20 0.37
MAOB P27338 2/20 0.36
PNMT P11086 1/20 0.36
CD44 P16070 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
CFD P00746 1/20 0.36
F11 P03951 1/20 0.36

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
SCHEMBL29321156 0.79 PARP11 (0.54) ASIC3CD274PLAUHTR2BHTR6
SCHEMBL3252513 0.73 PARP11 (0.54) HTR2BPARP11MAOBPNMTCD44
SCHEMBL3699392 0.73 S1PR1 (0.58) S1PR1S1PR3FFAR1KCNH2MAOB
SCHEMBL3699394 0.73 MAOB (0.63) S1PR1S1PR3FFAR1KCNH2MAOB
SCHEMBL1602329 0.73 S1PR1 (0.53) S1PR1S1PR3FFAR1KCNH2CYP26A1
SCHEMBL1601401 0.72 S1PR1 (0.52) S1PR1S1PR3FFAR1KCNH2MAOB
SCHEMBL1602885 0.71 S1PR1 (0.58) S1PR1S1PR3FFAR1KCNH2MAOB
SCHEMBL12269279 0.70 S1PR1 (0.68) S1PR1S1PR3FFAR1KCNH2MAOB
SCHEMBL1601244 0.70 S1PR1 (0.52) S1PR1S1PR3FFAR1KCNH2CYP26A1
SCHEMBL6470762 0.69 MAOB (0.62) S1PR1FFAR1MAOB

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 31 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
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-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-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
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 (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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885FFAR1 31/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885FFAR1 31/4885
US-20070173487-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885FFAR1 31/4885

“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.