SCHEMBL4388929

SCHEMBL4388929

COc1ccc(OC)c(S(=O)(=O)N2CCC(=NOCc3cccc(C#N)c3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 9/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
CCR3 P51677 1/20 0.41

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
SCHEMBL4380262 0.87 LMNA (0.48) ALDH1A1L3MBTL1LMNAHTTTSHR
SCHEMBL4382363 0.85 GPBAR1 (0.47) KMT2AALDH1A1MAPTUSP2LMNA
SCHEMBL4384704 0.81 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1
SCHEMBL4382627 0.80 ADAM17 (0.42) KMT2AALDH1A1RECQLL3MBTL1LMNA
SCHEMBL13589015 0.80 CYP3A4 (0.43) KMT2AALDH1A1MAPTL3MBTL1USP2
SCHEMBL4382619 0.79 PKM (0.42) ALDH1A1L3MBTL1
SCHEMBL4393072 0.79 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1
SCHEMBL4391254 0.78 ADAM17 (0.44) RECQLL3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL8225081 0.78 RORC (0.43) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL4385458 0.78 PKM (0.39) KMT2AALDH1A1L3MBTL1

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 KMT2A 2079/4885ALDH1A1 2105/4885MAPT 4378/4885

“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.