SCHEMBL1491209

SCHEMBL1491209

NS(=O)(=O)c1ccc(O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.50
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA9 Q16790 4/20 0.50
PDK2 Q15119 3/20 0.49
LDHA P00338 1/20 0.47
PTGS1 P23219 1/20 0.47
HSP90AA1 P07900 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
CES2 O00748 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
CDK2 P24941 1/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL278795 0.83 ALPL (0.52) CA2CA12CA1CA9PDK2
SCHEMBL30678708 0.83 ALPL (0.52) CA2CA12CA1CA9PDK2
SCHEMBL31235349 0.82 CA2 (0.50) CA2CA12CA1CA9LDHA
SCHEMBL21603106 0.82 CA2 (0.50) CA2CA12CA1CA9LDHA
SCHEMBL27802082 0.81 PTGS1 (0.63) CA2CA12CA1CA9LDHA
SCHEMBL669162 0.81 LMNA (0.52) CA2CA12CA1CA9PDK2
SCHEMBL6858853 0.81 PDK2 (0.49) CA2CA12CA1CA9PDK2
SCHEMBL29594642 0.81 LMNA (0.52) CA2CA12CA1CA9PDK2
SCHEMBL1574887 0.80 CA2 (0.45) CA2CA12CA1CA9LDHA
SCHEMBL28194860 0.80 PDIA6 (0.51) CA2CA12CA1CA9LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
EP-2491785-A1 Method and compositions for treating HIV infections Purdue Research Foundation (US) 2012-08-29 EP disclosed
US-8173349-B2 Photosensitive resin composition, polymer compound, method of forming a pattern, and electronic device FUJIFILM CORPORATION (JP) 2012-05-08 US disclosed
US-8173349-B2 Photosensitive resin composition, polymer compound, method of forming a pattern, and electronic device FUJIFILM CORPORATION (JP) 2012-05-08 US disclosed
US-7897635-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-03-01 US disclosed
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-06 US disclosed
US-20100080963-A1 PHOTOSENSITIVE RESIN COMPOSITION, POLYMER COMPOUND, METHOD OF FORMING A PATTERN, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080963-A1 PHOTOSENSITIVE RESIN COMPOSITION, POLYMER COMPOUND, METHOD OF FORMING A PATTERN, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
EP-2120562-A2 METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS Purdue Research Foundation (US) 2009-11-25 EP disclosed
WO-2008133734-A2 METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS PURDUE RESEARCH FOUNDATION (US) 2008-11-06 WO disclosed
US-20070082883-A1 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-12 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
CN-1227231-C Ether and amide compounds as medicide for treating glycuresis and preparing process thereof KOTOBUKI SEIYAKU CO LTD (JP) 2005-11-16 CN disclosed
EP-1485387-A1 CARBAMATES AS HIV PROTEASE INHIBITORS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-12-15 EP disclosed
US-20040039016-A1 HIV protease inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-26 US disclosed
WO-2003078438-A1 CARBAMATES AS HIV PROTEASE INHIBITORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-09-25 WO disclosed
US-6414001-B2 Ether and amide compounds preparation thereof composition containing same and use thereof as antidiadetics KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) 2002-07-02 US disclosed
CN-1315320-A Ether and amide compounds as medicide for treating glycuresis and preparing process thereof KOTOBUKI SEIYAKU CO LTD (JP) 2001-10-03 CN disclosed
US-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2001-07-19 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-20070082883-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP CA2 4120/4885CA12 4308/4885CA1 3581/4885
US-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. SLC5A2, GCG, NCEH1 CA2 120/4885CA12 1727/4885CA1 1531/4885
US-20040039016-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP CA2 4120/4885CA12 4308/4885CA1 3581/4885
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS SERPINB1, HPN, PRSS1 CA2 3514/4885CA12 2604/4885CA1 3327/4885

“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.