SCHEMBL3789773

SCHEMBL3789773

Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 1.00
CA1 P00915 14/20 1.00
CA9 Q16790 11/20 1.00
CA12 O43570 7/20 1.00
CA6 P23280 3/20 1.00
CA5A P35218 3/20 1.00
CA7 P43166 3/20 1.00
CA5B Q9Y2D0 3/20 1.00
CA4 P22748 2/20 1.00
CA14 Q9ULX7 3/20 0.71
ALDH1A1 P00352 2/20 0.61
PKM P14618 1/20 0.61
USP2 O75604 1/20 0.59
TSHR P16473 1/20 0.59
CA13 Q8N1Q1 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
AGO2 Q9UKV8 1/20 0.59
HTT P42858 1/20 0.57
CYP3A4 P08684 1/20 0.54
CYP19A1 P11511 1/20 0.54

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
SCHEMBL28113725 0.85 CA12 (0.73) CA2CA1CA9CA12CA6
SCHEMBL28836818 0.85 CA1 (0.73) CA2CA1CA9CA12CA6
SCHEMBL28113182 0.85 CA1 (0.73) CA2CA1CA9CA12CA6
SCHEMBL151655 0.84 KEAP1 (0.76) CA2CA1CA9CA12CA6
SCHEMBL13030968 0.83 CA1 (1.00) CA2CA1CA9CA12CA6
SCHEMBL28113716 0.82 CA9 (0.69) CA2CA1CA9CA12CA6
SCHEMBL7663045 0.81 SMN1; SMN2 (0.71) CA2CA1CA9CA12CA6
SCHEMBL14196598 0.81 CA2 (0.68) CA2CA1CA9CA12CA6
SCHEMBL4915517 0.81 ALDH1A1 (0.76) CA2CA1CA9CA12CA6
SCHEMBL1685120 0.81 CA2 (0.68) CA2CA1CA9CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010061185-A2 THERAPEUTIC TARGET UNION LIFE SCIENCES LTD (GB) 2010-06-03 WO claimed
EP-2594265-B1 Ca ix-specific inhibitors INST VIROLOGY (SK) 2015-10-28 EP disclosed
EP-2594265-A1 Ca ix-specific inhibitors INSTITUTE OF VIROLOGY (SK) 2013-05-22 EP disclosed
US-7829065-B2 CA IX-specific inhibitors INSTITUTE OF VIROLOGY OF THE SLOVAK ACADEMY OF SCIENCES (SK) 2010-11-09 US disclosed
WO-2010086177-A1 SULFAMOYL- PHENYL-UREIDO BENZAMIDINE-DERIVATIVES AS ANTIMALARIAL AGENTS 4SC AG (DE) 2010-08-05 WO disclosed
WO-2010061185-A2 THERAPEUTIC TARGET UNION LIFE SCIENCES LTD (GB) 2010-06-03 WO disclosed
US-7550424-B2 CA IX-specific inhibitors INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2009-06-23 US disclosed
US-20080095707-A1 CA IX-SPECIFIC INHIBITORS INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2008-04-24 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-20080095707-A1 CA IX-SPECIFIC INHIBITORS CA9, CA6, CA14 CA2 5/4885CA1 4/4885CA9 1/4885

“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.