SCHEMBL16933907

SCHEMBL16933907

CCCCCCCCc1noc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SPHK2 Q9NRA0 6/20 0.47
SPHK1 Q9NYA1 5/20 0.47
TSHR P16473 2/20 0.46
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 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
SCHEMBL16934064 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1SPHK2
SCHEMBL15175334 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1SPHK2
SCHEMBL16934066 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1SPHK2
SCHEMBL15175333 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1SPHK2
SCHEMBL16933905 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1SPHK2
SCHEMBL15176394 0.86 SPHK2 (0.51) SPHK2SPHK1CHRM2CHRM4CHRM5
SCHEMBL15175875 0.86 SPHK2 (0.51) SPHK2SPHK1CHRM2CHRM4CHRM5
SCHEMBL30147124 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1SPHK2
SCHEMBL15186301 0.83 SPHK2 (0.71) SPHK2SPHK1
SCHEMBL16934338 0.83 SPHK2 (0.71) SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 US disclosed
US-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-07-30 US 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-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, SGPL1 ALDH1A1 2473/4885MEN1 1594/4885KMT2A 2094/4885

“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.