SCHEMBL17545284

SCHEMBL17545284

CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)Cc3ccccc3)cc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 1/20 0.62
TP53 P04637 4/20 0.56
ACLY P53396 1/20 0.53
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
RORC P51449 2/20 0.47
CNR2 P34972 2/20 0.46
XIAP P98170 1/20 0.46
BIRC2 Q13490 1/20 0.46
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL17545148 0.84 XIAP (0.53) MEN1ALDH1A1HPGDKMT2AACLY
SCHEMBL21469191 0.83 XIAP (0.49) MEN1ALDH1A1HPGDKMT2AACLY
SCHEMBL17545356 0.81 ACLY (0.60) MEN1ALDH1A1KMT2ATP53ACLY
SCHEMBL17545341 0.78 LMNA (0.49) MEN1ALDH1A1KMT2ATP53ACLY
SCHEMBL18391795 0.78 ACLY (0.50) MEN1ALDH1A1HPGDKMT2ATP53
SCHEMBL17545102 0.78 NOTUM (0.49) MEN1ALDH1A1KMT2AACLYPOLB
SCHEMBL21469193 0.77 ALDH1A1 (0.48) MEN1ALDH1A1HPGDKMT2ATP53
SCHEMBL17545353 0.77 ACLY (0.69) HPGDTP53ACLYLMNAGAA
SCHEMBL17545361 0.77 TSHR (0.59) ALDH1A1TP53ACLYLMNAXIAP
SCHEMBL5332602 0.76 ACLY (0.53) MEN1KMT2AACLYLMNAXIAP

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 MEN1 1541/4885ALDH1A1 1200/4885HPGD 671/4885

“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.