SCHEMBL17545145

SCHEMBL17545145

CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccccc3)c21

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.83
LMNA P02545 1/20 0.69
POLB P06746 2/20 0.67
TP53 P04637 6/20 0.66
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.58
NPC1 O15118 1/20 0.58

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
SCHEMBL21549613 0.84 CYP2C19 (0.70) MAPTLMNAPOLBTP53CYP2C19
SCHEMBL17545311 0.82 CYP2C19 (0.77) MAPTLMNAPOLBTP53CYP2C19
SCHEMBL17545356 0.82 ACLY (0.60) MAPTLMNAPOLBTP53ALDH1A1
SCHEMBL17545248 0.79 TP53 (0.67) MAPTLMNAPOLBTP53CYP2C19
SCHEMBL17545068 0.77 NPC1 (0.64) MAPTLMNAPOLBTP53CYP2C19
SCHEMBL17492500 0.75 NPSR1 (0.68) MAPTLMNAPOLBTP53CYP2C19
SCHEMBL21469216 0.74 LMNA (0.66) LMNAPOLBTP53CYP2C19ALDH1A1
SCHEMBL21469259 0.72 TSHR (0.68) MAPTLMNAPOLBTP53CYP2C19
SCHEMBL21469255 0.72 MAPT (0.51) MAPTLMNAPOLBTP53GAA
SCHEMBL21469285 0.72 POLB (0.55) MAPTLMNAPOLBTP53CYP2C19

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 MAPT 2069/4885LMNA 3262/4885POLB 1517/4885
US-20190337931-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT MAPT 2069/4885LMNA 3262/4885POLB 1517/4885
US-11021469-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same INMT, MGAM, NNMT MAPT 2069/4885LMNA 3262/4885POLB 1517/4885
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT MAPT 2069/4885LMNA 3262/4885POLB 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.