SCHEMBL3483775

SCHEMBL3483775

O=C(O)NS(=O)(=O)c1nnc(-c2ccc(OCCCCl)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.48
HDAC2 Q92769 7/20 0.48
HDAC6 Q9UBN7 4/20 0.47
XIAP P98170 1/20 0.43
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC8 Q9BY41 3/20 0.39
THRB P10828 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL3483445 0.95 HDAC1 (0.46) HDAC1HDAC2HDAC6XIAPRAB9A
SCHEMBL3483720 0.81 HDAC1 (0.41) HDAC1HDAC2HDAC6XIAPRAB9A
SCHEMBL3483840 0.80 RAB9A (0.50) HDAC1HDAC2HDAC6XIAPRAB9A
SCHEMBL4036035 0.78 HDAC1 (0.43) HDAC1HDAC2HDAC6XIAPRAB9A
SCHEMBL3484166 0.77 RAB9A (0.41) HDAC1HDAC2HDAC6XIAPRAB9A
SCHEMBL3484377 0.76 HDAC1 (0.39) HDAC1HDAC2HDAC6XIAPRAB9A
SCHEMBL3484165 0.76 RAB9A (0.41) HDAC1HDAC2HDAC6XIAPRAB9A
SCHEMBL14931310 0.76 SMN1; SMN2 (0.49) LMNASMN1; SMN2
SCHEMBL3483079 0.75 RAB9A (0.47) HDAC1HDAC2HDAC6XIAPRAB9A
SCHEMBL3483727 0.74 RAB9A (0.43) HDAC1HDAC2HDAC6XIAPRAB9A

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 2 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-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 HDAC1 739/4885HDAC2 917/4885HDAC6 1022/4885

“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.