SCHEMBL4393076

SCHEMBL4393076

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(=NOCC2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL4384419 0.95 HTT (0.50) CNR1HTTGAAHPGDKMT2A
SCHEMBL4385551 0.91 CNR1 (0.53) CNR1HTTGAAHPGDKMT2A
SCHEMBL4393783 0.85 CNR1 (0.57) CNR1HTTGAAHPGDKMT2A
SCHEMBL2296095 0.82 CNR1 (0.53) CNR1HTTGAAKMT2APKM
SCHEMBL4385367 0.81 HTT (0.51) CNR1HTTGAAHPGDKMT2A
SCHEMBL4382858 0.81 GAA (0.54) CNR1HTTGAAHPGDPKM
SCHEMBL4379438 0.81 HTT (0.51) CNR1HTTGAAHPGDPKM
SCHEMBL2297519 0.81 HTT (0.53) CNR1HTTGAAKMT2APKM
SCHEMBL2295401 0.80 CNR1 (0.50) CNR1HTTGAAHPGDKMT2A
SCHEMBL2293206 0.80 CNR1 (0.56) CNR1HTTGAAKMT2ASMN1; SMN2

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 CNR1 38/4885HTT 4042/4885GAA 3245/4885

“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.