SCHEMBL17545356

SCHEMBL17545356

CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCc3ccccc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.60
MAPT P10636 1/20 0.60
POLB P06746 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
LMNA P02545 4/20 0.55
TP53 P04637 2/20 0.52
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL21469255 0.86 MAPT (0.51) ACLYMAPTPOLBRXFP1LMNA
SCHEMBL17545353 0.84 ACLY (0.69) ACLYLMNATP53GAAHTT
SCHEMBL17545145 0.82 MAPT (0.83) MAPTPOLBLMNATP53GAA
SCHEMBL17545103 0.81 ACLY (0.53) ACLYPOLBRXFP1LMNATP53
SCHEMBL17545284 0.81 MEN1 (0.62) ACLYMAPTPOLBLMNATP53
SCHEMBL17545146 0.81 ACLY (0.57) ACLYPOLBRXFP1LMNAKMT2A
SCHEMBL17545261 0.81 MEN1 (0.61) ACLYPOLBLMNATP53GAA
SCHEMBL17545313 0.81 ACLY (0.52) ACLYPOLBRXFP1LMNATP53
SCHEMBL29707979 0.81 ACLY (0.61) ACLYLMNAKMT2AMEN1ALDH1A1
SCHEMBL10598052 0.81 XIAP (0.60) ACLYLMNAKMT2AMEN1ALDH1A1

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 4 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
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 1668/4885MAPT 2069/4885POLB 1517/4885

“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.