SCHEMBL1880781

SCHEMBL1880781

CCCCCCCCCC(=O)NCC#N

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.64
HSP90AA1 P07900 1/20 0.55
DNM1 Q05193 2/20 0.53
CASP2 P42575 1/20 0.52
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SELP P16109 1/20 0.50
EPHX2 P34913 2/20 0.49
NAAA Q02083 1/20 0.48

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
SCHEMBL10634427 0.92 FAAH (0.50) FAAHHSP90AA1DNM1CASP2MEN1
SCHEMBL10628189 0.89 FAAH (0.46) FAAHHSP90AA1DNM1SELP
SCHEMBL10630200 0.85 TSHR (0.43) FAAHCASP2
SCHEMBL20263725 0.84 FAAH (0.44) FAAHHSP90AA1DNM1MEN1KMT2A
SCHEMBL6520442 0.83 FAAH (0.61) FAAHHSP90AA1DNM1CASP2SELP
SCHEMBL15468338 0.83
SCHEMBL7747959 0.82 FAAH (0.67) FAAHHSP90AA1DNM1CASP2MEN1
SCHEMBL9126413 0.82 FAAH (0.67) FAAHHSP90AA1DNM1CASP2MEN1
SCHEMBL20263735 0.82 FAAH (0.41) FAAHDNM1MEN1KMT2A
SCHEMBL14661992 0.82 FAAH (0.67) FAAHHSP90AA1DNM1CASP2MEN1

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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 US disclosed
WO-2009146112-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-03 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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 FAAH 891/4885HSP90AA1 3031/4885DNM1 574/4885

“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.