SCHEMBL80906

SCHEMBL80906

CC(C)(C)OC(=O)NC(CO)(CCc1ccc(OCCCCc2ccccc2)c(C#N)c1)COP(=O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
AAK1 Q2M2I8 9/20 0.39
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CASR P41180 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
CTSS P25774 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
S1PR4 O95977 2/20 0.34
S1PR5 Q9H228 2/20 0.34
CTSK P43235 1/20 0.33
CXCR2 P25025 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
SCHEMBL2463722 0.94 ALDH1A1 (0.42) S1PR1S1PR3AAK1SLC6A2SLC6A4
SCHEMBL2466787 0.94 ALDH1A1 (0.42) S1PR1S1PR3AAK1SLC6A2SLC6A4
SCHEMBL86680 0.90 S1PR1 (0.41) S1PR1S1PR3AAK1FNTAFNTB
SCHEMBL13851935 0.84 ALDH1A1 (0.44) S1PR1S1PR3AAK1ALDH1A1HPGD
SCHEMBL13851939 0.84 ALDH1A1 (0.44) S1PR1S1PR3AAK1ALDH1A1HPGD
SCHEMBL80907 0.81 AAK1 (0.36) S1PR1S1PR3AAK1FNTAFNTB
SCHEMBL80239 0.77 MRGPRX4 (0.38) S1PR1S1PR3AAK1HPGDS1PR4
SCHEMBL2463726 0.76 ALDH1A1 (0.39) S1PR1S1PR3AAK1SLC6A2SLC6A4
SCHEMBL2466790 0.76 ALDH1A1 (0.39) S1PR1S1PR3AAK1SLC6A2SLC6A4
SCHEMBL80472 0.75 S1PR1 (0.49) S1PR1S1PR3AAK1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885S1PR3 821/4885AAK1 2926/4885

“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.