SCHEMBL15549889

SCHEMBL15549889

Nc1ccc(Cc2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.71
CA2 P00918 7/20 0.71
CA9 Q16790 7/20 0.71
PTGS2 P35354 11/20 0.59
PTGS1 P23219 2/20 0.59
PDPK1 O15530 3/20 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
SCHEMBL19759267 0.90 PTGS2 (0.69) CA1CA2CA9PTGS2PTGS1
SCHEMBL15552398 0.89 PTGS2 (0.69) CA1CA2CA9PTGS2PTGS1
SCHEMBL15550607 0.88 CA1 (0.69) CA1CA2CA9PTGS2PTGS1
SCHEMBL6531664 0.85 PTGS2 (0.78) CA1CA2CA9PTGS2PTGS1
SCHEMBL15552223 0.85 CA1 (0.65) CA1CA2CA9PTGS2PTGS1
SCHEMBL6531306 0.83 CA9 (1.00) CA1CA2CA9PTGS2PTGS1
SCHEMBL15559114 0.81 CA1 (0.60) CA1CA2CA9PTGS2PTGS1
SCHEMBL16807764 0.81 CA1 (0.46) CA1CA2CA9PTGS2PTGS1
SCHEMBL19759271 0.81 CA1 (0.59) CA1CA2CA9PTGS2PTGS1
SCHEMBL15551431 0.80 CA1 (0.71) CA1CA2CA9PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406598-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 Mayo Foundation for Medical Education and Research (US) 2018-11-28 EP claimed
US-20150166484-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2015-06-18 US claimed
EP-2861562-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-04-22 EP claimed
WO-2013187965-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-12-19 WO claimed
EP-3406598-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUND MEDICAL EDUCATION & RES (US) 2020-01-29 EP disclosed
EP-3406598-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUND MEDICAL EDUCATION & RES (US) 2020-01-29 EP disclosed
EP-3406598-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 Mayo Foundation for Medical Education and Research (US) 2018-11-28 EP disclosed
US-10138208-B2 Pyrazole derivatives as inhibitors of STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-11-27 US disclosed
EP-2861562-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUND MEDICAL EDUCATION & RES (US) 2018-05-09 EP disclosed
US-20180002290-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-01-04 US disclosed
US-9732038-B2 Pyrazole derivatives as inhibitors of STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-08-15 US disclosed
US-9732038-B2 Pyrazole derivatives as inhibitors of STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-08-15 US disclosed
US-20150166484-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2015-06-18 US disclosed
US-20150166484-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2015-06-18 US disclosed
EP-2861562-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-04-22 EP disclosed
WO-2013187965-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-12-19 WO disclosed
US-20090291212-A1 VOLATILE METAL COMPLEXES OF PERFLUORO-tert-BUTANOL SYRACUSE UNIVERSITY (US) 2009-11-26 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 (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-10138208-B2 Pyrazole derivatives as inhibitors of STAT3 STAT3, STAT6, JAK2 CA1 4137/4885CA2 3692/4885CA9 3507/4885
US-20180002290-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 STAT3, STAT6, JAK2 CA1 4137/4885CA2 3692/4885CA9 3507/4885
US-20150166484-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 STAT3, STAT6, JAK2 CA1 4137/4885CA2 3692/4885CA9 3507/4885
US-20090291212-A1 VOLATILE METAL COMPLEXES OF PERFLUORO-tert-BUTANOL JUND, NONO, VAPA CA1 3174/4885CA2 2010/4885CA9 1796/4885

“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.