SCHEMBL4377612

SCHEMBL4377612

CC(=O)c1ccc(S(=O)(=O)N2CCC(=NOCc3cccc(C#N)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADAM17 P78536 3/20 0.42
MMP1 P03956 1/20 0.42
GAA P10253 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13589015 0.89 CYP3A4 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4380262 0.87 LMNA (0.48) ALDH1A1RAB9ANPC1LMNAADAM17
SCHEMBL8225081 0.87 RORC (0.43) ALDH1A1MAPTMEN1KMT2AADAM17
SCHEMBL4384704 0.86 L3MBTL1 (0.45) MEN1KMT2ACYP2C9ADAM17MMP1
SCHEMBL4381221 0.84 LMNA (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4376937 0.84 ADAM17 (0.45) SMN1; SMN2LMNACYP2C9ADAM17MMP1
SCHEMBL4379092 0.84 MRGPRX4 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4382627 0.84 ADAM17 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4388234 0.83 MAOB (0.52) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4391254 0.83 ADAM17 (0.44) SMN1; SMN2LMNAADAM17MMP1ADAMTS4

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 ALDH1A1 2105/4885RAB9A 4109/4885NPC1 4088/4885

“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.