SCHEMBL4384919

SCHEMBL4384919

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
CACNA1B Q00975 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL4393768 0.88 KMT2A (0.47) PKMPKLRSMN1; SMN2GAA
SCHEMBL4391227 0.86 SCN9A (0.47) TP53PKMLMNAGAATSHR
SCHEMBL4380728 0.85 GAA (0.51) PKMHSD11B1KDM4EGAA
SCHEMBL4380828 0.84 SMN1; SMN2 (0.53) HTTPKMPKLRSMN1; SMN2LMNA
SCHEMBL4381279 0.83 PKM (0.49) PKMLMNAKDM4EGAAHPGD
SCHEMBL4377730 0.83 GPR183 (0.41) PKMLMNAGAATSHR
SCHEMBL4380268 0.83 SCN9A (0.47) PKMGAAMAPT
SCHEMBL4392624 0.82 GAA (0.40) PKMPKLRLMNAKDM4EGAA
SCHEMBL4386137 0.82 GAA (0.53) HTTSMN1; SMN2LMNAGAATSHR
SCHEMBL4385228 0.82 PKM (0.44) PKMPKLRSMN1; SMN2LMNAGAA

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 4 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
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 HTT 4042/4885TP53 4415/4885PKM 2106/4885

“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.