SCHEMBL4380728

SCHEMBL4380728

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GPR183 P32249 1/20 0.48
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PKM P14618 1/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD11B1 P28845 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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 0.90 KMT2A (0.47) GAAKMT2AMEN1GPR183PKM
SCHEMBL4382575 0.87 KMT2A (0.52) GAAKMT2AMEN1ALDH1A1GPR183
SCHEMBL4385228 0.86 PKM (0.44) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL4384919 0.85 HTT (0.48) GAAPKMKDM4EHSD11B1
SCHEMBL4381279 0.85 PKM (0.49) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL4377730 0.85 GPR183 (0.41) GAAKMT2AMEN1ALDH1A1GPR183
SCHEMBL4380268 0.85 SCN9A (0.47) GAAPKMCYP2C9
SCHEMBL4392624 0.84 GAA (0.40) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL4383725 0.84 HSD11B1 (0.44) GAAKMT2AALDH1A1GPR183SLC6A2
SCHEMBL4386137 0.84 GAA (0.53) GAAKMT2AMEN1ALDH1A1CYP2C9

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 GAA 3245/4885KMT2A 2079/4885MEN1 3694/4885

“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.