SCHEMBL283024

SCHEMBL283024

Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 1.00
CA2 P00918 18/20 1.00
CA9 Q16790 12/20 1.00
CA12 O43570 4/20 1.00
CA6 P23280 3/20 1.00
CA3 P07451 2/20 1.00
CA5A P35218 2/20 1.00
CA14 Q9ULX7 2/20 1.00
CA5B Q9Y2D0 2/20 1.00
AKT1 P31749 1/20 0.89
CA7 P43166 1/20 0.76
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67

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
SCHEMBL328336 0.94 AKT1 (1.00) CA1CA2CA9CA12CA6
SCHEMBL9796270 0.87 CA1 (1.00) CA1CA2CA9CA12CA6
SCHEMBL9796165 0.87 CA1 (0.76) CA1CA2CA9CA12CA6
SCHEMBL9795893 0.87 CA1 (1.00) CA1CA2CA9CA12CA6
SCHEMBL11891697 0.87 CA1 (0.76) CA1CA2CA9CA12CA6
Benzolamide SCHEMBL3497931 0.86 CA1 (1.00) CA1CA2CA9CA12CA6
SCHEMBL12556025 0.83 CA1 (0.71) CA1CA2CA9CA12CA6
SCHEMBL4965134 0.83 CA1 (1.00) CA1CA2CA9CA12CA6
SCHEMBL14091067 0.81 CA1 (0.68) CA1CA2CA9CA12CA6
SCHEMBL9796293 0.80 CA1 (0.81) CA1CA2CA9CA12CA6

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428504-B1 Small molecule inhibitors of the pleckstrin homology domain and method for using same UNIV TEXAS (US) 2017-05-17 EP disclosed
US-9320734-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-26 US disclosed
US-9320734-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-26 US disclosed
US-9320734-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-26 US disclosed
EP-2594265-B1 Ca ix-specific inhibitors INST VIROLOGY (SK) 2015-10-28 EP disclosed
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-07 US disclosed
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-07 US disclosed
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-07 US disclosed
US-8962663-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-24 US disclosed
US-8962663-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-24 US disclosed
US-20080145877-A1 Inhibiting the growth of tumor cells overexpressing MN protein with enzyme inhibitors of carbonic anhydrase (CA 1X) (MN protein); pyridinium derivatives of aromatic heterocyclic sulfonamides; side-effect reduction; antitumor, -carcinogenic, -metastasis agents INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2008-06-19 US disclosed
US-20080146618-A1 Inhibiting the growth of tumor cells overexpressing MN protein with enzyme inhibitors of carbonic anhydrase (CA 1X) (MN protein); pyridinium derivatives of aromatic heterocyclic sulfonamides; side-effect reduction; antitumor, -carcinogenic, -metastasis agents INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2008-06-19 US disclosed
US-20080145874-A1 CA IX-Specific Inhibitors INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2008-06-19 US disclosed
US-20080095707-A1 CA IX-SPECIFIC INHIBITORS INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2008-04-24 US disclosed
US-20080095707-A1 CA IX-SPECIFIC INHIBITORS INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2008-04-24 US disclosed
EP-1569633-A4 CA IX-SPECIFIC INHIBITORS INST VIROLOGY (SK) 2008-03-05 EP disclosed
US-20060057068-A1 CA IX-specific inhibitors INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2006-03-16 US disclosed
EP-1569633-A2 CA IX-SPECIFIC INHIBITORS INSTITUTE OF VIROLOGY (SK) 2005-09-07 EP disclosed
US-20040146955-A1 CA IX-specific inhibitors INSTITUTE OF VIROLOGY SLOVAK ACADEMY OF SCIENCES (SK) 2004-07-29 US disclosed
WO-2004048544-A2 CA IX-SPECIFIC INHIBITORS BAYER HEALTHCARE (US) 2004-06-10 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 (4 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-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC CA1 4268/4885CA2 3465/4885CA9 4350/4885
US-20080095707-A1 CA IX-SPECIFIC INHIBITORS CA9, CA6, CA14 CA1 4/4885CA2 5/4885CA9 1/4885
US-20060057068-A1 CA IX-specific inhibitors CA9, CA2, CA6 CA1 4/4885CA2 2/4885CA9 1/4885
US-20080146618-A1 Inhibiting the growth of tumor cells overexpressing MN protein with enzyme inhibitors of carbonic anhydrase (CA 1X) (MN protein); pyridinium derivatives of aromatic heterocyclic sulfonamides; side-effect reduction; antitumor, -carcinogenic, -metastasis agents CA2, CA9, CA1 CA1 3/4885CA2 1/4885CA9 2/4885

“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.