SCHEMBL17545147

SCHEMBL17545147

CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3nccs3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.54
SCN3A Q9NY46 1/20 0.47
HPGD P15428 1/20 0.45
SCN1B Q07699 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
TRIM24 O15164 5/20 0.43
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
P2RY4 P51582 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.40
LMNA P02545 1/20 0.40
SCN9A Q15858 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL19219768 0.91 ACLY (0.44) ACLYSCN3ASCN1BSCN8AUSP2
SCHEMBL17545149 0.88 USP2 (0.53) SCN3AHPGDSCN1BSCN8ATRIM24
SCHEMBL17545337 0.83 ACLY (0.60) ACLYHPGDTRIM24XIAPBIRC2
SCHEMBL17545250 0.80 ACLY (0.58) ACLYTRIM24XIAPBIRC2P2RY4
SCHEMBL17545287 0.80 ACLY (0.54) ACLYHPGDTRIM24XIAPBIRC2
SCHEMBL17545354 0.80 ACLY (0.61) ACLYHPGDTRIM24P2RY4KMT2A
SCHEMBL15882300 0.79 ACLY (0.61) ACLYTRIM24XIAPBIRC2P2RY4
SCHEMBL10598052 0.79 XIAP (0.60) ACLYTRIM24XIAPBIRC2P2RY4
SCHEMBL29707979 0.79 ACLY (0.61) ACLYTRIM24XIAPBIRC2P2RY4
SCHEMBL19219769 0.79 USP2 (0.49) SCN3ASCN1BSCN8AUSP2MAPT

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-3180312-B1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME UNIV LOYOLA CHICAGO (US) 2019-10-16 EP disclosed
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-08-10 US disclosed
WO-2016025637-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME LOYOLA UNIVERSITY OF CHICAGO (US) 2016-02-18 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-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT ACLY 1668/4885SCN3A 1366/4885HPGD 671/4885

“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.