SCHEMBL17545353

SCHEMBL17545353

CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccccc3)cc21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.69
TRIM24 O15164 8/20 0.57
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 1/20 0.53
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.51
P2RY4 P51582 2/20 0.51
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL19219762 0.90 ACLY (0.57) ACLYTRIM24ADRB2ADRB1ADRB3
SCHEMBL17545354 0.84 ACLY (0.61) ACLYTRIM24NPC1HPGDP2RY4
SCHEMBL17545356 0.84 ACLY (0.60) ACLYTP53LMNAGAAHTT
SCHEMBL17545337 0.83 ACLY (0.60) ACLYTRIM24NPC1TP53HPGD
SCHEMBL10598052 0.83 XIAP (0.60) ACLYTRIM24P2RY4LMNAPKM
SCHEMBL15882300 0.83 ACLY (0.61) ACLYTRIM24P2RY4LMNAPKM
SCHEMBL29707979 0.83 ACLY (0.61) ACLYTRIM24P2RY4LMNAPKM
SCHEMBL17545250 0.82 ACLY (0.58) ACLYTRIM24P2RY4LMNAPKM
SCHEMBL22000050 0.82 ACLY (1.00) ACLYTRIM24
SCHEMBL17545146 0.81 ACLY (0.57) ACLYTRIM24P2RY4LMNA

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 1668/4885TRIM24 1559/4885ADRB2 3565/4885

“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.