SCHEMBL4385458

SCHEMBL4385458

N#Cc1cccc(CON=C2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 3/20 0.38
ALDH1A1 P00352 1/20 0.37
RORC P51449 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ADAM17 P78536 2/20 0.37
MMP1 P03956 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8225081 0.92 RORC (0.43) PKMATML3MBTL1SCN9AALDH1A1
SCHEMBL4384704 0.90 L3MBTL1 (0.45) ATML3MBTL1SCN9AMAOAMAOB
SCHEMBL13589015 0.89 CYP3A4 (0.43) PKMATML3MBTL1ALDH1A1ADAM17
SCHEMBL4379490 0.88 ATM (0.39) PKMATML3MBTL1SCN9AALDH1A1
SCHEMBL4383772 0.87 ATM (0.42) PKMATML3MBTL1SCN9AALDH1A1
SCHEMBL4393072 0.85 ALDH1A1 (0.39) PKMATML3MBTL1SCN9AALDH1A1
SCHEMBL4382619 0.85 PKM (0.42) PKMATML3MBTL1ALDH1A1RORC
SCHEMBL4379092 0.85 MRGPRX4 (0.45) L3MBTL1ALDH1A1RORCGAAKMT2A
SCHEMBL4380262 0.84 LMNA (0.48) PKML3MBTL1ALDH1A1ADAM17MMP1
SCHEMBL4388230 0.84 MEN1 (0.46) ALDH1A1MAOAMAOBADAM17MMP1

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 2106/4885ATM 4309/4885L3MBTL1 2099/4885

“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.