SCHEMBL5582047

SCHEMBL5582047

O=CNc1ccc[n+](CCCS(=O)(=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.47
EIF4H Q15056 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ACHE P22303 10/20 0.45
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
Bromide SCHEMBL5580703 0.79 ACHE (0.53) ACHEKDM4E
SCHEMBL3700839 0.78 PABPC1 (0.50) PABPC1EIF4HCTDSP1ACHEALDH1A1
SCHEMBL14337771 0.77 ACHE (0.48) ACHEALDH1A1
Bromide SCHEMBL5581090 0.76 ACHE (0.48) ACHEALDH1A1
Iodide SCHEMBL5581355 0.76 ACHE (0.44) ACHEALDH1A1
Iodide SCHEMBL5581390 0.76 ACHE (0.48) ACHEALDH1A1KDM4EMAPTKMT2A
SCHEMBL21523393 0.74 PABPC1 (0.53) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL21523390 0.74 PABPC1 (0.49) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL3937462 0.73 NOX1 (0.47) PABPC1EIF4HCTDSP1ACHEALDH1A1
SCHEMBL3937466 0.73 NOX1 (0.47) PABPC1EIF4HCTDSP1ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070166296-A1 Therapeutic Systems ENZACTA R & D LIMITED 2007-07-19 US disclosed
US-7138122-B2 Therapeutic systems ENZACTA R & D LIMITED (GB) 2006-11-21 US disclosed
EP-0988059-B8 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT PROTHERICS MOLECULAR DESIGN LT (GB) 2006-03-01 EP disclosed
EP-0988059-B1 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LTD (GB) 2005-12-07 EP disclosed
US-6867231-B1 Therapeutic systems ENZACTA R & D LIMITED (GB) 2005-03-15 US disclosed
EP-1468698-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2004-10-20 EP disclosed
US-20030086933-A1 Therapeutic systems ENZACTA R & D LIMITED 2003-05-08 US disclosed
EP-0988059-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2000-03-29 EP disclosed
WO-1998057662-A2 THERAPEUTIC SYSTEMS ENZACTA R & D LIMITED (GB) 1998-12-23 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-20070166296-A1 Therapeutic Systems NQO2, NQO1, NAPRT PABPC1 1429/4885EIF4H 1476/4885CTDSP1 224/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT PABPC1 1429/4885EIF4H 1476/4885CTDSP1 224/4885

“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.