SCHEMBL1013043

SCHEMBL1013043

CC(C)(C)OC(=O)CCc1nccc2c(C#N)cccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NSD2 O96028 2/20 0.36
ELANE P08246 2/20 0.35
GLA P06280 1/20 0.34
SLC22A6 Q4U2R8 2/20 0.34
SLC22A11 Q9NSA0 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL1014605 0.82 SSTR4 (0.41) ALDH1A1
SCHEMBL1013044 0.82 LMNA (0.36) SLC22A12ALDH1A1HPGDTSHRELANE
SCHEMBL1013013 0.78 SMN1; SMN2 (0.42) ALDH1A1HPGDELANE
SCHEMBL1014655 0.77 SSTR4 (0.33)
SCHEMBL11983818 0.76 AURKA (0.32) ALDH1A1
SCHEMBL1015465 0.76 S1PR1 (0.43)
SCHEMBL1014774 0.74 S1PR1 (0.56)
SCHEMBL1420868 0.72 HTT (0.44)
SCHEMBL1014642 0.72 HTT (0.35) SLC22A12ALDH1A1HPGD
SCHEMBL12881095 0.71 HTT (0.35) SLC22A12NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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 (1 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 SLC22A12 2687/4885ALDH1A1 427/4885HPGD 274/4885

“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.