SCHEMBL4382701

SCHEMBL4382701

CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccc(F)c(C#N)c3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 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
SCHEMBL4381060 0.90 TP53 (0.37) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4383060 0.90 NAMPT (0.41) PKMMEN1KMT2AGAASMN1; SMN2
SCHEMBL4383813 0.86 RORC (0.43) PKMMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL4385274 0.85 PKM (0.41) PKMMEN1KMT2AGAASMN1; SMN2
SCHEMBL4385346 0.82 MEN1 (0.43) MEN1KMT2AGAASMN1; SMN2
SCHEMBL4381306 0.79 TEK (0.42) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL4380375 0.79 CCR6 (0.45) SMN1; SMN2KDM4EALDH1A1
SCHEMBL13589008 0.79 KMT2A (0.42) KMT2APOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL4383772 0.78 ATM (0.42) PKMGAASMN1; SMN2LMNAL3MBTL1
SCHEMBL4384476 0.77 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2LMNAHTT

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 PKM 2106/4885MEN1 3694/4885KMT2A 2079/4885

“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.