SCHEMBL1161902

SCHEMBL1161902

COC(C)(C)C1CCC(O)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP13 P45452 1/20 0.31
TSHR P16473 1/20 0.30
SHBG P04278 1/20 0.30

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
SCHEMBL1161900 1.00 MMP2 (0.31) MMP2MMP3MMP13TSHRSHBG
SCHEMBL11942482 1.00 MMP2 (0.31) MMP2MMP3MMP13TSHRSHBG
SCHEMBL12066331 0.87
SCHEMBL807036 0.79 ALDH1A1 (0.30)
SCHEMBL12389957 0.76 ALDH1A1 (0.32)
SCHEMBL21379288 0.75
SCHEMBL11513955 0.75
SCHEMBL13769300 0.75
SCHEMBL2291737 0.75 NR1H2 (0.33)
SCHEMBL4600957 0.74 ALDH1A1 (0.30)

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 MMP2 4531/4885MMP3 3671/4885MMP13 4557/4885
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 MMP2 4531/4885MMP3 3671/4885MMP13 4557/4885
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 MMP2 4777/4885MMP3 4198/4885MMP13 4787/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 MMP2 4531/4885MMP3 3671/4885MMP13 4557/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 MMP2 4777/4885MMP3 4198/4885MMP13 4787/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 MMP2 4531/4885MMP3 3671/4885MMP13 4557/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 MMP2 4777/4885MMP3 4198/4885MMP13 4787/4885

“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.