SCHEMBL1602363

SCHEMBL1602363

O=Cc1ccc(-c2nc3cc(Sc4ccccc4)ccc3o2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
HPSE Q9Y251 9/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 1/20 0.39
C1R P00736 1/20 0.38
UTRN P46939 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 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
SCHEMBL1602285 0.81 S1PR1 (0.62) HDAC6MAPTTP53S1PR1S1PR3
SCHEMBL1602432 0.81 S1PR1 (0.41) S1PR1S1PR3NPC1RAB9AKMT2A
SCHEMBL1602076 0.80 HSD17B10 (0.46) HDAC6MAPTTP53S1PR1S1PR3
SCHEMBL3690181 0.75 S1PR1 (0.55) HDAC6S1PR1S1PR3NPC1RAB9A
SCHEMBL1601438 0.74 S1PR1 (0.62) HDAC6S1PR1S1PR3NPC1RAB9A
SCHEMBL1602874 0.74 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL18863850 0.70 PDCD1 (0.53) MAPTTP53POLBNPC1RAB9A
SCHEMBL10829813 0.70 KDM4E (0.48) HDAC6MAPTTP53NPC1RAB9A
SCHEMBL14421888 0.69 S1PR1 (0.37) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL10729747 0.67 MEN1 (0.45) MAPTTP53POLBNPC1RAB9A

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 16 patents. 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
EP-2121648-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX Pharmaceuticals, Inc. (US) 2009-11-25 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HDAC6 4361/4885MAPT 3332/4885TP53 4658/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 HDAC6 4361/4885MAPT 3332/4885TP53 4658/4885

“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.