SCHEMBL2481586

SCHEMBL2481586

CCCCCOc1ccc(Oc2ccc3cc(C4([N+](=O)[O-])COC(C)(C)OC4)ccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.40
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
PTGS2 P35354 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
PLA2G4B P0C869 1/20 0.34

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
SCHEMBL16474361 0.92 TLR4 (0.42) MAPTNPC1RAB9ATLR4TLR2
SCHEMBL2475387 0.83 MEN1 (0.42) MAPTNPC1RAB9ATLR4TLR2
SCHEMBL2485089 0.82 LTA4H (0.44) LTA4HKMT2ALMNAMEN1
SCHEMBL2480374 0.76 ALOX5 (0.46) MAPTNPC1RAB9ATLR4TLR2
SCHEMBL1240044 0.65 MAPT (0.63) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL11211591 0.64 MAPT (0.58) LTA4HMAPTNPC1RAB9AKMT2A
SCHEMBL12370638 0.64 LTA4H (0.81) LTA4HMAPTNPC1RAB9ALMNA
SCHEMBL13900195 0.64 LTA4H (0.81) LTA4HMAPTNPC1RAB9ALMNA
SCHEMBL5049067 0.64 MAPT (0.62) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL51004 0.64 MAPT (0.62) MAPTNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL 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 (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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 LTA4H 1907/4885MAPT 3464/4885NPC1 365/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 LTA4H 2895/4885MAPT 4541/4885NPC1 1038/4885

“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.