SCHEMBL4383772

SCHEMBL4383772

N#Cc1cccc(CON=C2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN9A Q15858 3/20 0.40
ADAM17 P78536 3/20 0.37
MMP1 P03956 1/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.35
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
RORC P51449 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL4379490 0.93 ATM (0.39) ATML3MBTL1SCN9AADAM17MMP1
SCHEMBL8225081 0.89 RORC (0.43) ATML3MBTL1SCN9AADAM17MMP1
SCHEMBL4384704 0.88 L3MBTL1 (0.45) ATML3MBTL1SCN9AADAM17MMP1
SCHEMBL13589015 0.87 CYP3A4 (0.43) ATML3MBTL1ADAM17MMP1GAA
SCHEMBL4385458 0.87 PKM (0.39) ATML3MBTL1SCN9AADAM17MMP1
SCHEMBL4383813 0.85 RORC (0.43) ATML3MBTL1SCN9AALDH1A1LMNA
SCHEMBL4379092 0.84 MRGPRX4 (0.45) L3MBTL1GAAALDH1A1LMNASMN1; SMN2
SCHEMBL4382619 0.84 PKM (0.42) ATML3MBTL1ALDH1A1PKMRORC
SCHEMBL4382363 0.83 GPBAR1 (0.47) ATMGAACYP3A4ALDH1A1LMNA
SCHEMBL4380262 0.83 LMNA (0.48) L3MBTL1ADAM17MMP1CYP3A4GRM5

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 ATM 4309/4885L3MBTL1 2099/4885SCN9A 270/4885

“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.