SCHEMBL1161930

SCHEMBL1161930

COC(=O)[C@H]1CCCN(Cc2ccc3cc(O[C@H]4CC[C@H](C(C)(C)C)CC4)ccc3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 1/20 0.48
▸ ENPP2 Q13822 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTT P42858 1/20 0.43

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
SCHEMBL1161928 1.00 KDM4E (0.50) KDM4EALDH1A1POLBENPP2L3MBTL1
SCHEMBL1162101 0.94 ENPP2 (0.48) KDM4EALDH1A1ENPP2
SCHEMBL1162102 0.94 ENPP2 (0.48) KDM4EALDH1A1ENPP2
SCHEMBL11025167 0.92 ALDH1A1 (0.62) KDM4EALDH1A1POLBL3MBTL1ATM
SCHEMBL11942427 0.92 ALDH1A1 (0.62) KDM4EALDH1A1POLBL3MBTL1ATM
SCHEMBL11942426 0.92 ALDH1A1 (0.62) KDM4EALDH1A1POLBL3MBTL1ATM
SCHEMBL18532922 0.92 ALDH1A1 (0.62) KDM4EALDH1A1POLBL3MBTL1ATM
SCHEMBL1162184 0.92 ALDH1A1 (0.62) KDM4EALDH1A1POLBL3MBTL1ATM
SCHEMBL1162183 0.92 ALDH1A1 (0.62) KDM4EALDH1A1POLBL3MBTL1ATM
SCHEMBL18532853 0.92 ALDH1A1 (0.62) KDM4EALDH1A1POLBL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2017-08-24 — — US disclosed
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 — — US disclosed
US-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. 2016-05-12 — — US disclosed
US-9186367-B2 Bicyclic aryl sphingosine 1-phosphate analogs BOIGEN MA INC. (US) 2015-11-17 — — US disclosed
EP-2461683-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2015-04-29 — — EP disclosed
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2014-10-16 — — US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — US disclosed
EP-2461683-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2012-06-13 — — EP disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 — — 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 (7 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-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 KDM4E 3357/4885ALDH1A1 4545/4885POLB 4062/4885
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 KDM4E 3357/4885ALDH1A1 4545/4885POLB 4062/4885
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 KDM4E 3227/4885ALDH1A1 3931/4885POLB 3678/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 KDM4E 3357/4885ALDH1A1 4545/4885POLB 4062/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 KDM4E 3227/4885ALDH1A1 3931/4885POLB 3678/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 KDM4E 3357/4885ALDH1A1 4545/4885POLB 4062/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 KDM4E 3227/4885ALDH1A1 3931/4885POLB 3678/4885

“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.

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