SCHEMBL2477979

SCHEMBL2477979

CC1(C)OCC(c2ccc3c(C(F)(F)F)c(OCc4ccccc4)ccc3c2)([N+](=O)[O-])CO1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 5/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA9 Q16790 1/20 0.34
ALOX5 P09917 1/20 0.34
POLB P06746 1/20 0.34
MAPK14 Q16539 1/20 0.33
MET P08581 2/20 0.32
CTSV O60911 2/20 0.32
CTSL P07711 2/20 0.32

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
SCHEMBL2486118 0.86 MAPT (0.41) MAPTMEN1KMT2ACYP19A1NPC1
SCHEMBL2486204 0.84 ALOX5 (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2480374 0.81 ALOX5 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2475387 0.78 MEN1 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2477735 0.71 PTPN1 (0.36) MAPTMEN1KMT2ACYP19A1NPC1
SCHEMBL2450106 0.70 TLR4 (0.38) MAPTMEN1KMT2ACYP19A1LMNA
SCHEMBL16474361 0.67 TLR4 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2481586 0.63 LTA4H (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15608906 0.63 KCNA4 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL24635386 0.62 PIN1 (0.47) MAPTMEN1KMT2ANPC1RAB9A

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 MAPT 3464/4885MEN1 2507/4885KMT2A 3206/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 MAPT 4541/4885MEN1 1827/4885KMT2A 4111/4885

“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.