SCHEMBL4386149

SCHEMBL4386149

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.52
CYP2C9 P11712 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL4387482 0.92 AKR1C3 (0.43) AKR1C3CYP2C9GAARAB9ANPC1
SCHEMBL4387410 0.88 KMT2A (0.53) AKR1C3CYP2C9GAAL3MBTL1KMT2A
SCHEMBL4386137 0.88 GAA (0.53) AKR1C3CYP2C9GAAL3MBTL1KMT2A
SCHEMBL4382785 0.87 AKR1C3 (0.52) AKR1C3CYP2C9GAANPC1L3MBTL1
SCHEMBL13589027 0.86 L3MBTL1 (0.48) CYP2C9GAANPC1L3MBTL1KMT2A
SCHEMBL8225146 0.85 KMT2A (0.46) AKR1C3CYP2C9GAARAB9AL3MBTL1
SCHEMBL4393768 0.84 KMT2A (0.47) AKR1C3CYP2C9GAANPC1KMT2A
SCHEMBL4380728 0.81 GAA (0.51) CYP2C9GAAL3MBTL1KMT2AMEN1
SCHEMBL4377730 0.81 GPR183 (0.41) CYP2C9GAAKMT2AMEN1ALDH1A1
SCHEMBL4384919 0.80 HTT (0.48) GAALMNA

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 1 patent. 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

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 416/4885CYP2C9 114/4885GAA 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.