SCHEMBL4393773

SCHEMBL4393773

N#Cc1ccnc(CON=C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.42
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
GAA P10253 2/20 0.39
CTSS P25774 1/20 0.39
NR3C1 P04150 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4384904 0.90 SCN9A (0.39) GAA
SCHEMBL4384743 0.89 SCN9A (0.39) PKMPKLR
SCHEMBL4377008 0.88 CYP11B1 (0.39) HSD11B1GAA
SCHEMBL4379530 0.87 GAA (0.45) HSD11B1KDM4EGAA
SCHEMBL4388309 0.84 GAA (0.47) HSD11B1PKMPKLRGAA
SCHEMBL4388251 0.84 LMNA (0.45) HTTPKMPKLRGAALMNA
SCHEMBL4386017 0.84 KDM4E (0.39) KDM4EGAAHPGD
SCHEMBL8222754 0.84 GPR6 (0.40) HSD11B1KDM4EPKMGAALMNA
SCHEMBL4380261 0.83 MEN1 (0.42) HSD11B1GAA
SCHEMBL4384547 0.82 CCR6 (0.42) HTTPKMGAALMNACNR1

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 3 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

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 HSD11B1 1648/4885KDM4E 560/4885HTT 4042/4885

“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.