SCHEMBL2039879

SCHEMBL2039879

O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 3/20 1.00
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
MMP1 P03956 1/20 0.63
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP13 P45452 1/20 0.63
F2 P00734 2/20 0.58
PRSS1 P07477 2/20 0.58
PRSS2 P07478 2/20 0.58
PRSS3 P35030 2/20 0.58
MET P08581 1/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.54
MDM2 Q00987 1/20 0.54
THRB P10828 1/20 0.53
CYP19A1 P11511 1/20 0.51

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
SCHEMBL30446303 1.00 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL11566827 1.00 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL11589602 0.89 KMT2A (0.79) KMT2AMEN1CA1CA2MMP1
SCHEMBL2041279 0.88 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL11226703 0.85 KMT2A (0.80) KMT2AMEN1CA1CA2MMP1
SCHEMBL2359170 0.85 KMT2A (0.72) KMT2AMEN1CA1CA2MMP1
SCHEMBL27749452 0.85 KMT2A (0.80) KMT2AMEN1CA1CA2MMP1
SCHEMBL8208093 0.85 KMT2A (0.93) KMT2AMEN1CA1CA2MMP1
SCHEMBL237684 0.84 KMT2A (0.73) KMT2AMEN1CA1CA2MMP1
SCHEMBL3194681 0.84 POLB (0.74) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12537221-B2 Electrolyte for secondary battery and secondary battery including the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-01-27 US claimed
US-20220407116-A1 ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY INCLUDING THE SAME DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-22 US claimed
US-20210008104-A1 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-14 US claimed
EP-3664811-A2 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2020-06-17 EP claimed
CN-111163783-A Compositions and methods for inhibiting HIV-1 reverse transcriptase 美国政府卫生与公众服务部 2020-05-15 CN claimed
WO-2019032749-A2 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2019-02-14 WO claimed
US-9487476-B2 Catechol diethers as potent anti-HIV agents YALE UNIVERSITY (US) 2016-11-08 US claimed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US claimed
CN-102753526-B Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIV GEORGIA 2014-11-26 CN claimed
US-20140288017-A1 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-25 US claimed
US-8513205-B2 Potent chimeric NRTI-NNRTI bifunctional inhibitors of HIV-1 reverse transcriptase YALE UNIVERSITY (US) 2013-08-20 US claimed
WO-2013056003-A2 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS YALE UNIVERSITY (US) 2013-04-18 WO claimed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 US claimed
CN-102753526-A Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIV GEORGIA 2012-10-24 CN claimed
EP-2509949-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS University Of Georgia Research Foundation, Inc. (US) 2012-10-17 EP claimed
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE ANDERSON KAREN S (US) 2011-12-22 US claimed
WO-2011071849-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-06-16 WO claimed
WO-2009126293-A2 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE YALE UNIVERSITY (US) 2009-10-15 WO claimed
EP-1794107-B1 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA USA CORP (US) 2008-11-26 EP claimed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20140288017-A1 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS COMT, NNMT, PNMT KMT2A 835/4885MEN1 4674/4885CA1 4826/4885
US-12537221-B2 Electrolyte for secondary battery and secondary battery including the same NCS1, KCNN2, SLC9A1 KMT2A 810/4885MEN1 1141/4885CA1 124/4885
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE NAMPT, NAPRT, DNTT KMT2A 199/4885MEN1 4826/4885CA1 3903/4885
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC KMT2A 2438/4885MEN1 4863/4885CA1 4568/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR KMT2A 1589/4885MEN1 4881/4885CA1 4637/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 KMT2A 3265/4885MEN1 4840/4885CA1 1444/4885

“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.