SCHEMBL3483601

SCHEMBL3483601

CN(C)C=NS(=O)(=O)c1nnc(-c2ccc(OCCO)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XIAP P98170 1/20 0.38
HSD17B10 Q99714 4/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NR1H4 Q96RI1 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA4 P22748 2/20 0.37
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL3483599 1.00 KDM4E (0.41) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3483730 0.91 RAB9A (0.43) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3483727 0.91 RAB9A (0.43) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3483333 0.91 KDM4E (0.41) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3483332 0.91 KDM4E (0.41) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL14931263 0.87 HSD17B10 (0.43) KDM4ERAB9AMAPTHSD17B10HDAC1
SCHEMBL14931261 0.87 HSD17B10 (0.43) KDM4ERAB9AMAPTHSD17B10HDAC1
SCHEMBL3483253 0.83 GAA (0.41) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3483249 0.83 GAA (0.41) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3483768 0.81 CYP1A2 (0.42) KDM4ERAB9ANPC1SMN1; SMN2MAPT

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS KDM4E 1076/4885RAB9A 972/4885NPC1 2466/4885

“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.