SCHEMBL17545309

SCHEMBL17545309

COC(=O)[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.50
KMT2A Q03164 6/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRIM24 O15164 3/20 0.44
RAB9A P51151 1/20 0.43
NOTUM Q6P988 1/20 0.43
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 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
SCHEMBL17545350 1.00 ACLY (0.50) ACLYKMT2AGAAMAPK1MAPT
SCHEMBL19222362 1.00 ACLY (0.50) ACLYKMT2AGAAMAPK1MAPT
SCHEMBL19219756 0.92 ACLY (0.42) ACLYKMT2AGAAMAPK1MAPT
SCHEMBL17545362 0.88 KMT2A (0.46) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL17545080 0.88 KMT2A (0.46) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL17545078 0.81 RECQL (0.56) ACLYKMT2APOLBSMN1; SMN2TRIM24
SCHEMBL17545071 0.81 RECQL (0.56) ACLYKMT2APOLBSMN1; SMN2TRIM24
SCHEMBL17545261 0.80 MEN1 (0.61) ACLYKMT2AGAAMAPK1POLB
SCHEMBL29707979 0.80 ACLY (0.61) ACLYKMT2ALMNATRIM24NOTUM
SCHEMBL10598052 0.80 XIAP (0.60) ACLYKMT2ALMNATRIM24NOTUM

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 1668/4885KMT2A 1720/4885GAA 682/4885

“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.