SCHEMBL3483249

SCHEMBL3483249

CN(C)/C=N/S(=O)(=O)c1nnc(-c2ccc(O)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
MGAM O43451 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
LMNA P02545 1/20 0.39
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PTGS2 P35354 2/20 0.35
ALOX15 P16050 1/20 0.35
DDX3X O00571 1/20 0.34
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL3483253 1.00 GAA (0.41) GAAMGAMSIMGAM2LMNA
SCHEMBL3483599 0.83 KDM4E (0.41) GAALMNAHDAC1HDAC2HDAC6
SCHEMBL3483601 0.83 KDM4E (0.41) GAALMNAHDAC1HDAC2HDAC6
SCHEMBL14931263 0.81 HSD17B10 (0.43) HDAC1HDAC2KDM4EHSD17B10RAB9A
SCHEMBL3483730 0.81 RAB9A (0.43) GAAMGAMSIMGAM2LMNA
SCHEMBL3483332 0.81 KDM4E (0.41) GAAMGAMSIMGAM2LMNA
SCHEMBL3483333 0.81 KDM4E (0.41) GAAMGAMSIMGAM2LMNA
SCHEMBL3483727 0.81 RAB9A (0.43) GAAMGAMSIMGAM2LMNA
SCHEMBL3483768 0.80 CYP1A2 (0.42) GAAKDM4EHSD17B10RAB9AALDH1A1
SCHEMBL3483773 0.80 CYP1A2 (0.42) GAAKDM4EHSD17B10RAB9AALDH1A1

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
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
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS GAA 13/4885MGAM 1/4885SI 29/4885

“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.