SCHEMBL19219756

SCHEMBL19219756

C=C(C)N1CCc2cc(Br)c(S(=O)(=O)N[C@@H](C(=O)OC)C(C)C)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
XIAP P98170 2/20 0.41
BIRC2 Q13490 2/20 0.41
TP53 P04637 1/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.38
P2RY4 P51582 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TRIM24 O15164 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL17545309 0.92 ACLY (0.50) ACLYXIAPBIRC2KMT2AMAPT
SCHEMBL17545350 0.92 ACLY (0.50) ACLYXIAPBIRC2KMT2AMAPT
SCHEMBL19222362 0.92 ACLY (0.50) ACLYXIAPBIRC2KMT2AMAPT
SCHEMBL19219759 0.88 MAPT (0.39) TP53KMT2AMAPTGAAMAPK1
SCHEMBL17545362 0.80 KMT2A (0.46) TP53KMT2AMAPTGAAMAPK1
SCHEMBL17545080 0.80 KMT2A (0.46) TP53KMT2AMAPTGAAMAPK1
SCHEMBL19219754 0.77 XIAP (0.44) ACLYXIAPBIRC2TP53GAA
SCHEMBL19219761 0.76 XIAP (0.45) ACLYXIAPBIRC2TP53KMT2A
SCHEMBL19219762 0.74 ACLY (0.57) ACLYXIAPBIRC2TP53P2RY4
SCHEMBL17545078 0.73 RECQL (0.56) ACLYXIAPBIRC2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1668/4885XIAP 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.