SCHEMBL2439495

SCHEMBL2439495

CCCCCCCOc1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57
ALOX5 P09917 2/20 0.55
TLR8 Q9NR97 3/20 0.49
GPBAR1 Q8TDU6 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
TSHR P16473 1/20 0.49
MCL1 Q07820 1/20 0.46
NR5A1 Q13285 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
LTA4H P09960 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
Iodide SCHEMBL28230534 0.98 PPARG (0.56) PPARGPPARAALOX5TLR8GPBAR1
SCHEMBL9950393 0.95 PPARG (0.60) PPARGPPARAALOX5TLR8GPBAR1
SCHEMBL1216388 0.89 PPARG (0.54) PPARGPPARAALOX5TLR8GPBAR1
SCHEMBL14518958 0.85 HDAC3 (0.49) PPARGPPARAALOX5ALDH1A1TSHR
Hydrochloric Acid SCHEMBL5577223 0.84 HDAC3 (0.47) PPARGPPARAALOX5ALDH1A1TSHR
SCHEMBL28900536 0.83 MCL1 (0.47) PPARGPPARAALOX5ALDH1A1TSHR
SCHEMBL12957491 0.83 CYP3A4 (0.60) PPARGPPARAALOX5GPBAR1ALDH1A1
SCHEMBL25865586 0.83 ALOX5 (0.59) PPARGPPARAALOX5ALDH1A1MCL1
SCHEMBL14444867 0.82 PPARG (0.52) PPARGPPARAALOX5TLR8ALDH1A1
SCHEMBL826938 0.82 ALDH1A1 (0.55) PPARGPPARAALOX5ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 EP disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 US disclosed
US-8349849-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-01-08 US disclosed
EP-2364089-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2010-06-24 US disclosed
WO-2010051031-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 PPARG 2242/4885PPARA 1670/4885ALOX5 3094/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 PPARG 2242/4885PPARA 1670/4885ALOX5 3094/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PPARG 2242/4885PPARA 1670/4885ALOX5 3094/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PPARG 2242/4885PPARA 1670/4885ALOX5 3094/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 PPARG 2242/4885PPARA 1670/4885ALOX5 3094/4885

“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.