SCHEMBL19219762

SCHEMBL19219762

C=C(C)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccccc3)cc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.57
ADRB2 P07550 8/20 0.49
ADRB1 P08588 8/20 0.49
ADRB3 P13945 6/20 0.49
P2RY4 P51582 2/20 0.48
TRIM24 O15164 5/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
XIAP P98170 1/20 0.42
BIRC2 Q13490 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
SCHEMBL17545353 0.90 ACLY (0.69) ACLYADRB2ADRB1ADRB3P2RY4
SCHEMBL19219772 0.84 ACLY (0.51) ACLYP2RY4TRIM24TP53XIAP
SCHEMBL19219770 0.83 ACLY (0.49) ACLYP2RY4TRIM24NPC1TP53
SCHEMBL19219768 0.78 ACLY (0.44) ACLYP2RY4XIAPBIRC2
SCHEMBL19219764 0.78 ACLY (0.44) ACLYP2RY4TRIM24NPC1TP53
SCHEMBL19219767 0.78 GAA (0.59) ACLYTP53
SCHEMBL19219761 0.76 XIAP (0.45) ACLYP2RY4TP53XIAPBIRC2
SCHEMBL19219755 0.75 NPSR1 (0.52) ACLYTP53XIAPBIRC2
SCHEMBL19219754 0.74 XIAP (0.44) ACLYTP53XIAPBIRC2
SCHEMBL17545354 0.74 ACLY (0.61) ACLYP2RY4TRIM24NPC1

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 1668/4885ADRB2 3565/4885ADRB1 3123/4885

“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.