SCHEMBL4385376

SCHEMBL4385376

COc1cc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.38
HSD11B1 P28845 1/20 0.38
PRCP P42785 2/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PKM P14618 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4386166 0.87 PRCP (0.42) EGLN1PRCPKMT2AMEN1EPHX2
SCHEMBL4376809 0.86 HDAC3 (0.40) EGLN1HSD11B1KMT2AMEN1EPHX2
SCHEMBL4377024 0.86 LMNA (0.38) PRCPKMT2AMEN1EPHX1EPHX2
SCHEMBL4383832 0.86 MEN1 (0.43) EGLN1HSD11B1PRCPKMT2AMEN1
SCHEMBL4392776 0.85 HSD11B1 (0.41) EGLN1HSD11B1PRCPKMT2AMEN1
SCHEMBL4385890 0.81 CHRM4 (0.42) HSD11B1KMT2AMEN1PKMNPC1
SCHEMBL4395594 0.81 MEN1 (0.39) KMT2AMEN1EPHX1EPHX2PKM
SCHEMBL4385279 0.80 HSD11B1 (0.44) HSD11B1PRCPKMT2AMEN1HDAC3
SCHEMBL4382818 0.80 PRCP (0.44) EGLN1PRCPKMT2AMEN1EPHX2
SCHEMBL4393199 0.80 LIPE (0.46) KMT2AMEN1EPHX2PKMALDH1A1

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 EGLN1 1065/4885HSD11B1 1648/4885PRCP 3210/4885

“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.