SCHEMBL12269232

SCHEMBL12269232

CC(C)C(N)(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.30

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
SCHEMBL12269175 0.89 MEN1 (0.32)
SCHEMBL1014822 0.80 TDP1 (0.33) TDP1
SCHEMBL1773924 0.80
SCHEMBL14839962 0.76
SCHEMBL5052192 0.76 MEN1 (0.30) TDP1
SCHEMBL1132159 0.75
Water SCHEMBL25298648 0.74
SCHEMBL12269227 0.74 SMN1; SMN2 (0.32) TSHR
SCHEMBL5669354 0.73 ALDH1A1 (0.30)
SCHEMBL11721273 0.73 FDPS (0.35) TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-03-10 US disclosed
US-7855193-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 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-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US 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 (7 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 TDP1 3630/4885TSHR 162/4885
US-20080064677-A9 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 TDP1 3630/4885TSHR 162/4885
US-20080015177-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR2, S1PR5 TDP1 2722/4885TSHR 485/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 TDP1 2722/4885TSHR 485/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 TDP1 3630/4885TSHR 162/4885
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 TDP1 3630/4885TSHR 162/4885
US-20070173487-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 TDP1 3630/4885TSHR 162/4885

“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.