SCHEMBL3405913

SCHEMBL3405913

O=C1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.66
CASP3 P42574 4/20 0.65
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 4/20 0.65
HSD17B10 Q99714 3/20 0.65
TSHR P16473 3/20 0.65
POLB P06746 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
NPC1 O15118 1/20 0.65
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
HTT P42858 1/20 0.65
PAX8 Q06710 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62

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
SCHEMBL3407424 1.00 USP2 (0.66) USP2CASP3KDM4EALDH1A1HSD17B10
SCHEMBL3406366 1.00 USP2 (0.66) USP2CASP3KDM4EALDH1A1HSD17B10
SCHEMBL54427 1.00 USP2 (0.66) USP2CASP3KDM4EALDH1A1HSD17B10
SCHEMBL20302795 0.96 KDM4E (0.69) USP2CASP3KDM4EALDH1A1HSD17B10
SCHEMBL13320955 0.81 ALDH1A1 (0.56) CASP3KDM4EALDH1A1HSD17B10TSHR
SCHEMBL20302878 0.79 GAA (0.66) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL60258 0.79 RAB9A (0.94) USP2CASP3KDM4EALDH1A1HSD17B10
SCHEMBL5605322 0.79 POLB (0.61) USP2KDM4EHSD17B10TSHRPOLB
SCHEMBL6535562 0.79 CASP3 (1.00) USP2CASP3CASP1CASP7CASP9
SCHEMBL15540128 0.79 MAPT (1.00) USP2CASP3KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328819-B1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUNDS PRODRUGS AND THEIR USES BETA CAT PHARMACEUTICALS INC (US) 2020-04-01 EP disclosed
US-9963475-B2 Anthracene-9, 10-dione dioxime compound prodrugs and their uses BETA CAT PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
US-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES Iterion Therapeutics, Inc. 2017-11-23 US disclosed
US-9725473-B2 Anthracene-9, 10-dione dioxime compound prodrugs and their uses BETA CAT PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20170029450-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES Iterion Therapeutics, Inc. 2017-02-02 US disclosed
WO-2010059142-A1 ANTHRAQUINONE DIOXIMES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-05-27 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 (2 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-20170029450-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A USP2 1697/4885CASP3 164/4885KDM4E 1909/4885
US-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A USP2 1697/4885CASP3 164/4885KDM4E 1909/4885

“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.