SCHEMBL4377572

SCHEMBL4377572

CCCCc1ccc(S(=O)(=O)N2CCC(=NOCc3cccnc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 5/20 0.43
KMT2A Q03164 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4381821 0.88 LMNA (0.46) LMNASMN1; SMN2KMT2AIKBKBCHUK
SCHEMBL4393905 0.88 SMN1; SMN2 (0.49) LMNASMN1; SMN2KMT2AALDH1A1CYP2C9
SCHEMBL4385481 0.83 LMNA (0.49) LMNASMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL4387319 0.83 ALDH1A1 (0.47) LMNASMN1; SMN2KMT2AALDH1A1CYP3A4
SCHEMBL4386313 0.83 SMN1; SMN2 (0.43) LMNASMN1; SMN2KMT2AIKBKBCHUK
SCHEMBL4393170 0.82 PKM (0.49) LMNASMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL4385187 0.81 IKBKB (0.42) LMNASMN1; SMN2KMT2AIKBKBCHUK
SCHEMBL4383812 0.80 LMNA (0.48) LMNASMN1; SMN2KMT2AALDH1A1CYP2C19
SCHEMBL4381771 0.80 LMNA (0.50) LMNASMN1; SMN2KMT2AALDH1A1CYP2C19
SCHEMBL4381221 0.80 LMNA (0.43) LMNASMN1; SMN2KMT2AALDH1A1L3MBTL1

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 5 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
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO 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 LMNA 3822/4885SMN1; SMN2 664/4885NAMPT 4023/4885

“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.