SCHEMBL3484060

SCHEMBL3484060

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.54
CA2 P00918 11/20 0.54
CA4 P22748 2/20 0.54
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
XIAP P98170 1/20 0.44
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
CA5A P35218 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA7 P43166 4/20 0.43

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
SCHEMBL3483840 0.88 RAB9A (0.50) CA1CA2CA4RAB9AKDM4E
SCHEMBL3483079 0.88 RAB9A (0.47) CA1CA2CA4RAB9AKDM4E
SCHEMBL3483601 0.78 KDM4E (0.41) CA1CA2CA4RAB9AKDM4E
SCHEMBL3483599 0.78 KDM4E (0.41) CA1CA2CA4RAB9AKDM4E
SCHEMBL3483798 0.77 MGAM (0.56) CA1CA2CA4HDAC1HDAC2
SCHEMBL28259515 0.74 CA2 (0.61) CA1CA2CA4LMNACA5A
SCHEMBL28257304 0.72 CA2 (0.59) CA1CA2CA4LMNACA5A
SCHEMBL9043824 0.72 CA2 (0.68) CA1CA2CA4CA5ACA5B
SCHEMBL3483445 0.71 HDAC1 (0.46) CA1CA2RAB9AKDM4ENPC1
SCHEMBL3483775 0.71 HDAC1 (0.48) CA1CA2RAB9AKDM4ENPC1

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 CA1 3102/4885CA2 440/4885CA4 1834/4885

“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.