SCHEMBL7113458

SCHEMBL7113458

CS(=O)(=O)Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 5/20 0.48
CA12 O43570 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CA3 P07451 3/20 0.48
CA4 P22748 3/20 0.48
CA6 P23280 3/20 0.48
CA5A P35218 3/20 0.48
CA7 P43166 3/20 0.48
CA13 Q8N1Q1 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ACHE P22303 2/20 0.48
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL28700892 0.80 DNMT1 (0.57) CA1CA2CA9CA12CA14
SCHEMBL29446569 0.80 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL11607241 0.80 SLC6A4 (0.59) CA1CA2CA12CA7CA13
SCHEMBL11343833 0.78 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL7115923 0.77 DNMT1 (0.73) CA1CA2CA9CA12CA14
SCHEMBL14681216 0.74 CA1 (0.49) CA1CA2CA9CA12CA14
SCHEMBL11226544 0.74 CA1 (0.40) CA1CA2CA9CA12CA14
SCHEMBL514483 0.74 HSD17B10 (0.56) MEN1MAPTKMT2AHSD17B10ACHE
SCHEMBL515001 0.74 CA1 (0.61) CA1CA2CA9CA12CA14
SCHEMBL3931538 0.73 MAPT (0.50) MEN1MAPTKMT2AHSD17B10ACHE

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
US-20030220524-A1 Sulfur containing compounds LANGLER RICHARD FRANCIS (CA) 2003-11-27 US disclosed
EP-1259482-A2 SULFUR CONTAINING COMPOUNDS University Health Network (CA) 2002-11-27 EP disclosed
WO-2001062668-A2 SULFUR CONTAINING COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2001-08-30 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-20030220524-A1 Sulfur containing compounds SQOR, MCL1, NDUFS5 CA1 4352/4885CA2 4262/4885CA9 3603/4885

“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.