SCHEMBL4382785

SCHEMBL4382785

CNC(=O)c1cccc(S(=O)(=O)N2CCC(=NOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KDM4A O75164 1/20 0.45
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL13589027 0.92 L3MBTL1 (0.48) L3MBTL1NPC1ALDH1A1MAPTKDM4E
SCHEMBL4387410 0.90 KMT2A (0.53) AKR1C3L3MBTL1ALDH1A1KDM4ECYP2C9
SCHEMBL4386137 0.88 GAA (0.53) AKR1C3L3MBTL1ALDH1A1MAPTCYP2C9
SCHEMBL4386149 0.87 AKR1C3 (0.52) AKR1C3L3MBTL1NPC1ALDH1A1CYP2C9
SCHEMBL8225146 0.85 KMT2A (0.46) AKR1C3L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL4387482 0.85 AKR1C3 (0.43) AKR1C3L3MBTL1NPC1CYP2C9KMT2A
SCHEMBL4393768 0.84 KMT2A (0.47) AKR1C3NPC1CYP2C9MEN1KMT2A
SCHEMBL4380728 0.81 GAA (0.51) L3MBTL1ALDH1A1KDM4ECYP2C9MEN1
SCHEMBL4377730 0.81 GPR183 (0.41) ALDH1A1CYP2C9POLBMEN1KMT2A
SCHEMBL4384919 0.80 HTT (0.48) MAPTKDM4ESMN1; SMN2GAAHTT

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 AKR1C3 416/4885L3MBTL1 2099/4885NPC1 4088/4885

“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.