SCHEMBL2124902

SCHEMBL2124902

CC(C)(C)OC(=O)N1CCc2cc(C(=N)NO)ccc2C1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.65
HDAC6 Q9UBN7 9/20 0.57
HDAC8 Q9BY41 3/20 0.57
NR1H2 P55055 1/20 0.57
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 1/20 0.46
ABHD6 Q9BV23 2/20 0.43
TMPRSS2 O15393 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2989688 0.93 HDAC6 (0.58) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL2120817 0.93 HDAC6 (0.54) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL24038582 0.90 HDAC1 (0.59) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL30090292 0.90 HDAC1 (0.59) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL14063092 0.84 ESR2 (0.69) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL30301758 0.84 ESR2 (0.69) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL3024823 0.84 ESR2 (0.69) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL306991 0.84 ESR2 (0.72) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL1365145 0.84 ESR2 (0.72) ESR2HDAC6HDAC8NR1H2HDAC1
SCHEMBL29406723 0.84 ESR2 (0.72) ESR2HDAC6HDAC8NR1H2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958913-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEMICAL LTD (KR) 2018-10-03 EP disclosed
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 WO disclosed
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443110-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010146105-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2010-12-23 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-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 ESR2 2100/4885HDAC6 3295/4885HDAC8 3024/4885
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING S1PR1, S1PR2, S1PR3 ESR2 443/4885HDAC6 2223/4885HDAC8 2338/4885

“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.