SCHEMBL17545103

SCHEMBL17545103

CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(C)C)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
XIAP P98170 1/20 0.47
BIRC2 Q13490 1/20 0.47
TRIM24 O15164 4/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
IDO1 P14902 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 2/20 0.43
CYP2C19 P33261 1/20 0.42
P2RY4 P51582 2/20 0.42

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
SCHEMBL17545144 0.89 ACLY (0.52) ACLYXIAPBIRC2TRIM24LMNA
SCHEMBL17545313 0.83 ACLY (0.52) ACLYXIAPBIRC2TRIM24LMNA
SCHEMBL10598052 0.83 XIAP (0.60) ACLYXIAPBIRC2TRIM24LMNA
SCHEMBL29707979 0.83 ACLY (0.61) ACLYXIAPBIRC2TRIM24LMNA
SCHEMBL15882300 0.83 ACLY (0.61) ACLYXIAPBIRC2TRIM24LMNA
SCHEMBL17545250 0.82 ACLY (0.58) ACLYXIAPBIRC2TRIM24LMNA
SCHEMBL17545342 0.81 CYP2C19 (0.54) ACLYXIAPBIRC2LMNAALDH1A1
SCHEMBL17545075 0.81 ACLY (0.51) ACLYXIAPBIRC2TRIM24LMNA
SCHEMBL17545356 0.81 ACLY (0.60) ACLYLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL17545146 0.81 ACLY (0.57) ACLYXIAPBIRC2TRIM24LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021469-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same LOYOLA UNIVERSITY OF CHICAGO (US) 2021-06-01 US disclosed
US-20190337931-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME LOYOLA UNIVERSITY OF CHICAGO 2019-11-07 US disclosed
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-10385040-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same LOYOLA UNIVERSITY OF CHICAGO (US) 2019-08-20 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
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 (4 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-10385040-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same INMT, MGAM, NNMT ACLY 1668/4885XIAP 2249/4885BIRC2 2002/4885
US-20190337931-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT ACLY 1668/4885XIAP 2249/4885BIRC2 2002/4885
US-11021469-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same INMT, MGAM, NNMT ACLY 1668/4885XIAP 2249/4885BIRC2 2002/4885
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT ACLY 1668/4885XIAP 2249/4885BIRC2 2002/4885

“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.