SCHEMBL4386166

SCHEMBL4386166

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCc2ccnc(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.42
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 2/20 0.40
ADAM17 P78536 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4383832 0.87 MEN1 (0.43) PRCPCYP2C19SMN1; SMN2HDAC3HDAC4
SCHEMBL4385376 0.87 EGLN1 (0.38) PRCPCYP2C19HDAC3HDAC4HDAC1
SCHEMBL4387768 0.86 CYP2C19 (0.42) PRCPCYP2C19SMN1; SMN2HDAC3HDAC4
SCHEMBL4382818 0.85 PRCP (0.44) PRCPCYP2C19SMN1; SMN2HDAC3HDAC4
SCHEMBL4388886 0.84 SMN1; SMN2 (0.48) PRCPCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL4377024 0.84 LMNA (0.38) PRCPCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL4383891 0.82 PRCP (0.47) PRCPHDAC3HDAC4HDAC1HDAC7
SCHEMBL4386428 0.81 PRCP (0.46) PRCPHDAC3HDAC4HDAC1HDAC7
SCHEMBL4385187 0.81 IKBKB (0.42) SMN1; SMN2MMP1ADAM17MEN1KMT2A
SCHEMBL4393199 0.81 LIPE (0.46) SMN1; SMN2MEN1KMT2AEPHX2CYP2C9

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 PRCP 3210/4885CYP2C19 162/4885SMN1; SMN2 664/4885

“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.