SCHEMBL17545287

SCHEMBL17545287

CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3cnccn3)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.54
CYP11B2 P19099 4/20 0.44
TRIM24 O15164 4/20 0.43
P2RY4 P51582 2/20 0.43
CYP11B1 P15538 2/20 0.42
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
ACHE P22303 1/20 0.41
IDO1 P14902 1/20 0.40
HPGD P15428 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL19219764 0.91 ACLY (0.44) ACLYCYP11B2TRIM24P2RY4XIAP
SCHEMBL17545073 0.88 CYP11B2 (0.52) ACLYCYP11B2TRIM24CYP11B1ACHE
SCHEMBL17545354 0.86 ACLY (0.61) ACLYTRIM24P2RY4HPGDKMT2A
SCHEMBL17545337 0.83 ACLY (0.60) ACLYTRIM24P2RY4XIAPBIRC2
SCHEMBL17545147 0.80 ACLY (0.54) ACLYTRIM24P2RY4XIAPBIRC2
SCHEMBL29707979 0.79 ACLY (0.61) ACLYTRIM24P2RY4XIAPBIRC2
SCHEMBL10598052 0.79 XIAP (0.60) ACLYTRIM24P2RY4XIAPBIRC2
SCHEMBL15882300 0.79 ACLY (0.61) ACLYTRIM24P2RY4XIAPBIRC2
SCHEMBL19219757 0.79 CYP11B2 (0.41) CYP11B2P2RY4ACHEHTR2AHTR2C
SCHEMBL17545250 0.78 ACLY (0.58) ACLYTRIM24P2RY4XIAPBIRC2

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 3 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
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 1668/4885CYP11B2 3486/4885TRIM24 1559/4885

“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.