SCHEMBL1875631

SCHEMBL1875631

CCCCCCCCc1ccc(C(=O)NC(C)C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 1/20 0.57
PLK1 P53350 4/20 0.52
THRA P10827 6/20 0.50
THRB P10828 6/20 0.50
RARB P10826 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HAO1 Q9UJM8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
PLK3 Q9H4B4 3/20 0.49
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49

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
SCHEMBL1878644 1.00 ASAH2 (0.57) ASAH2PLK1THRATHRBRARB
SCHEMBL1878645 1.00 ASAH2 (0.57) ASAH2PLK1THRATHRBRARB
SCHEMBL1880385 1.00 ASAH2 (0.57) ASAH2PLK1THRATHRBRARB
SCHEMBL1880381 1.00 ASAH2 (0.57) ASAH2PLK1THRATHRBRARB
SCHEMBL1875630 1.00 ASAH2 (0.57) ASAH2PLK1THRATHRBRARB
SCHEMBL1880076 0.85 SPHK2 (0.52) ASAH2SPHK2SPHK1
SCHEMBL1880075 0.85 SPHK2 (0.52) ASAH2SPHK2SPHK1
SCHEMBL12672300 0.84 ASAH2 (0.63) ASAH2PLK1THRATHRBRARB
SCHEMBL11972669 0.82 PPARG (0.66) PLK1RARBSPHK1
SCHEMBL4220014 0.81 ASAH2 (0.59) ASAH2PLK1THRATHRBRARB

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 ASAH2 68/4885PLK1 228/4885THRA 4269/4885

“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.