SCHEMBL17023777

SCHEMBL17023777

Cc1ccc(S(=O)(=O)OCCc2ccc(C(C)(C)C)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CA2 P00918 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
PSMD10 O75832 1/20 0.36
CYP24A1 Q07973 1/20 0.35
NPC1 O15118 1/20 0.35
STAT3 P40763 1/20 0.35
PPARA Q07869 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.34

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
SCHEMBL30233639 0.89 DAO (0.41) CA1CA9CA12BCHEACHE
SCHEMBL29226625 0.89 DAO (0.41) CA1CA9CA12BCHEACHE
SCHEMBL121411 0.87 CA1 (0.40) CA1CA9CA12CA2L3MBTL1
SCHEMBL18289524 0.83 CA1 (0.50) CA1CA9CA12CA2KMT2A
SCHEMBL6906905 0.83 CA1 (0.50) CA1CA9CA12CA2KMT2A
SCHEMBL8199145 0.83 BCHE (0.54) CA1BCHEACHECA2KMT2A
SCHEMBL30786258 0.83 CA1 (0.37) CA1CA9CA12CA2L3MBTL1
SCHEMBL2883636 0.82 CA1 (0.36) CA1CA9CA12BCHEACHE
SCHEMBL29038057 0.81 CA1 (0.39) CA1CA9CA12BCHEACHE
SCHEMBL30292889 0.78 HRH3 (0.44) CA1CA9CA12CA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 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 (3 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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CA1 1697/4885CA9 299/4885CA12 324/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CA1 1697/4885CA9 299/4885CA12 324/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO CA1 1697/4885CA9 299/4885CA12 324/4885

“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.