SCHEMBL2454529

SCHEMBL2454529

CC(C)Oc1ccc(Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MMP13 P45452 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 1/20 0.33
POLB P06746 1/20 0.33
ABL1 P00519 1/20 0.32
GLA P06280 1/20 0.32
MMP14 P50281 2/20 0.32
MMP1 P03956 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAPK1 P28482 1/20 0.32
NOTUM Q6P988 1/20 0.32
TSHR P16473 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
MCL1 Q07820 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL2454532 1.00 LMNA (0.36) LMNAMMP13MMP2MMP3MMP9
SCHEMBL2776525 0.84 LMNA (0.32) LMNAPOLB
SCHEMBL2776523 0.82 TSHR (0.37) LMNAPOLBABL1TSHRMAOA
SCHEMBL2776522 0.82 TSHR (0.37) LMNAPOLBABL1TSHRMAOA
SCHEMBL2452583 0.81 LMNA (0.53) LMNAPOLBMAPK1TSHR
SCHEMBL2452586 0.81 LMNA (0.53) LMNAPOLBMAPK1TSHR
SCHEMBL2446538 0.78 LMNA (0.33) LMNAMAOAMAOB
SCHEMBL2446536 0.78 LMNA (0.33) LMNAMAOAMAOB
SCHEMBL2446539 0.78 LMNA (0.33) LMNAMAOAMAOB
SCHEMBL2450184 0.78 LMNA (0.33) LMNAMAOAMAOB

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 LMNA 3016/4885MMP13 4787/4885MMP2 4777/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 LMNA 2435/4885MMP13 4834/4885MMP2 4641/4885

“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.