SCHEMBL2453428

SCHEMBL2453428

CC(C)(C)OC(=O)NC1(c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3c2)COC(C)(C)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
RORC P51449 1/20 0.35
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
DRD2 P14416 5/20 0.32
DRD3 P35462 5/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HTR1D P28221 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
CXCR2 P25025 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL2480740 0.82 NQO2 (0.37) RORCKDM4EGLAGAAMAPT
SCHEMBL12344365 0.81 THRA (0.36) CA1CA2
SCHEMBL2480228 0.81 PTPN1 (0.41) MAPT
SCHEMBL2775817 0.78 NPC1L1 (0.33)
SCHEMBL2775819 0.78 NPC1L1 (0.33)
SCHEMBL2449275 0.78 RORC (0.31) RORC
SCHEMBL2447534 0.78 RORC (0.31) RORC
SCHEMBL2439590 0.76 DRD2 (0.41) HSD11B1RORCDRD2DRD3HTR1D
SCHEMBL2777969 0.75 KLK7 (0.33) MAPTCA1ACACB
SCHEMBL2482763 0.75 KLK7 (0.33) MAPTCA1ACACB

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 HSD11B1 2194/4885RORC 1392/4885SCN9A 3035/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 HSD11B1 4117/4885RORC 2604/4885SCN9A 2265/4885

“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.