SCHEMBL3484094

SCHEMBL3484094

CC(C)(C)OC(=O)N(CP(=O)(O)O)S(=O)(=O)c1nnc(-c2ccc(OCCCCl)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL4036035 0.78 HDAC1 (0.43) XIAPMAPTRAB9ALMNAHDAC1
SCHEMBL3483720 0.73 HDAC1 (0.41) XIAPMAPTRAB9ALMNAHDAC1
SCHEMBL3484166 0.71 RAB9A (0.41) XIAPMAPTRAB9ALMNAHDAC1
SCHEMBL3483840 0.70 RAB9A (0.50) XIAPMAPTRAB9ALMNAHDAC1
SCHEMBL3483775 0.69 HDAC1 (0.48) XIAPMAPTRAB9ALMNAHDAC1
SCHEMBL3484377 0.69 HDAC1 (0.39) XIAPMAPTRAB9ALMNAHDAC1
SCHEMBL3483730 0.69 RAB9A (0.43) XIAPMAPTRAB9ALMNAHDAC1
SCHEMBL3483727 0.69 RAB9A (0.43) XIAPMAPTRAB9ALMNAHDAC1
SCHEMBL3480537 0.69
SCHEMBL3483308 0.67 KDM4E (0.38) XIAPMAPTRAB9ALMNAHDAC1

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 XIAP 3172/4885MAPT 3993/4885RAB9A 972/4885

“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.