SCHEMBL4245109

SCHEMBL4245109

CS(=O)(=O)N(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA9 Q16790 6/20 0.50
CA12 O43570 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA3 P07451 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA13 Q8N1Q1 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CRHBP P24387 1/20 0.50
ATM Q13315 1/20 0.50
CRHR2 Q13324 1/20 0.50
TLR9 Q9NR96 1/20 0.50

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
SCHEMBL1917327 0.82 MEN1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL21596178 0.81 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL2995730 0.79 L3MBTL1 (0.49) CA1CA2CA9CA12CA14
SCHEMBL2999739 0.75 MAPT (0.54) CA1CA2CA9CA12CA14
SCHEMBL2994667 0.75 ACHE (0.43) CA1CA2CA9CA12CA14
SCHEMBL28684490 0.74 MAPT (0.66) CA1CA2CA9CA12CA14
SCHEMBL5625920 0.74 MAPT (0.45) CA1CA2CA9CA12CA14
SCHEMBL21932234 0.74 MAPT (0.45) CA1CA2CA9CA12CA14
SCHEMBL4238752 0.74 ALDH1A1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL218018 0.74 MAPT (0.78) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CA1 4389/4885CA2 3871/4885CA9 4277/4885

“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.