SCHEMBL1880076

SCHEMBL1880076

CCCCCCCCc1cccc(C(=O)NC(C)C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
SMPD1 P17405 4/20 0.48
PRKD1 Q15139 2/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.44
MAP1LC3A Q9H492 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
S1PR1 P21453 4/20 0.43
S1PR4 O95977 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.43
ASAH2 Q9NR71 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
SCHEMBL1880075 1.00 SPHK2 (0.52) SPHK2SPHK1SMPD1PRKD1MAP1LC3B
SCHEMBL1878644 0.85 ASAH2 (0.57) SPHK2SPHK1ASAH2
SCHEMBL1878645 0.85 ASAH2 (0.57) SPHK2SPHK1ASAH2
SCHEMBL1875631 0.85 ASAH2 (0.57) SPHK2SPHK1ASAH2
SCHEMBL1880385 0.85 ASAH2 (0.57) SPHK2SPHK1ASAH2
SCHEMBL1875630 0.85 ASAH2 (0.57) SPHK2SPHK1ASAH2
SCHEMBL1880381 0.85 ASAH2 (0.57) SPHK2SPHK1ASAH2
SCHEMBL2763884 0.82 SPHK2 (0.54) SPHK2SPHK1SMPD1MAP1LC3BMAP1LC3A
SCHEMBL13323770 0.81 SPHK2 (0.52) SPHK2SPHK1SMPD1MAP1LC3BMAP1LC3A
SCHEMBL12638356 0.81 SPHK2 (0.57) SPHK2SPHK1SMPD1MAP1LC3BMAP1LC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 SPHK2 1/4885SPHK1 2/4885SMPD1 32/4885

“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.