SCHEMBL17545362

SCHEMBL17545362

COC(=O)[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRIM24 O15164 3/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
NOTUM Q6P988 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL17545080 1.00 KMT2A (0.46) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL19219759 0.92 MAPT (0.39) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL17545350 0.88 ACLY (0.50) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL19222362 0.88 ACLY (0.50) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL17545309 0.88 ACLY (0.50) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL17545216 0.80 POLB (0.54) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL29707960 0.80 NOTUM (0.51) KMT2ALMNATRIM24PKMNOTUM
SCHEMBL15882573 0.80 NOTUM (0.51) KMT2ALMNATRIM24PKMNOTUM
SCHEMBL19219756 0.80 ACLY (0.42) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL19222298 0.78 POLB (0.47) KMT2AGAAMAPK1MAPTPOLB

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 KMT2A 1720/4885GAA 682/4885MAPK1 2688/4885
US-20190337931-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT KMT2A 1720/4885GAA 682/4885MAPK1 2688/4885
US-11021469-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same INMT, MGAM, NNMT KMT2A 1720/4885GAA 682/4885MAPK1 2688/4885
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT KMT2A 1720/4885GAA 682/4885MAPK1 2688/4885

“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.