SCHEMBL2449339

SCHEMBL2449339

C[C@@]1(c2ccc3cc(Oc4cccc(C(F)(F)F)c4)ccc3c2)COC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
SCN9A Q15858 2/20 0.42
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
LTA4H P09960 1/20 0.36
MAPT P10636 1/20 0.36
TEAD1 P28347 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
AR P10275 1/20 0.35
CHEK2 O96017 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL2449344 1.00 KIF11 (0.46) KIF11SCN9AUSP2LMNAHTT
SCHEMBL2453988 0.78 HSD11B1 (0.41) LMNA
SCHEMBL2453985 0.78 HSD11B1 (0.41) LMNA
SCHEMBL2452583 0.78 LMNA (0.53) LMNAKDM4EALDH1A1
SCHEMBL2449031 0.74 APP (0.39) LMNAMMP13MMP14AR
SCHEMBL2776174 0.73 APP (0.33) LMNAMMP13MMP14AR
SCHEMBL2449325 0.73 APP (0.33) LMNAMMP13MMP14AR
SCHEMBL2449323 0.73 APP (0.33) LMNAMMP13MMP14AR
SCHEMBL2447605 0.71 HSP90AA1 (0.41) LMNAMMP2MMP9MAPTKDM4E
SCHEMBL2777005 0.71 PTGER4 (0.43) KIF11SCN9ALMNAMMP2MMP3

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 KIF11 3095/4885SCN9A 3035/4885USP2 4630/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 KIF11 4174/4885SCN9A 2265/4885USP2 4545/4885

“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.