SCHEMBL2467092

SCHEMBL2467092

O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 1.00
MCL1 Q07820 4/20 0.71
BCL2A1 Q16548 2/20 0.71
KEAP1 Q14145 2/20 0.71
NFE2L2 Q16236 2/20 0.71
BCL2 P10415 1/20 0.71
BID P55957 1/20 0.71
BCL2L1 Q07817 1/20 0.71
BCL2L2 Q92843 1/20 0.71
STAT3 P40763 1/20 0.65
HKDC1 Q2TB90 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
G6PD P11413 1/20 0.48

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
SCHEMBL2241319 0.86 BRAF (0.75) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL12351863 0.85 BRAF (0.74) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL2244145 0.83 MCL1 (1.00) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL14851507 0.83 MCL1 (0.77) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL2240512 0.83 MCL1 (0.77) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL2459723 0.83 STAT3 (0.73) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL13510159 0.82 BRAF (0.69) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL26017551 0.82 BRAF (0.69) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL2241127 0.82 MCL1 (0.75) BRAFMCL1BCL2A1KEAP1NFE2L2
SCHEMBL13509724 0.82 BRAF (0.69) BRAFMCL1BCL2A1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO claimed
US-11161831-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia BAYLOR COLLEGE OF MEDICINE (US) 2021-11-02 US disclosed
WO-2021113551-A1 THERAPEUTIC COMPOUNDS FOR METHODS OF USE IN INSULIN RESISTANCE BAYLOR COLLEGE OF MEDICINE (US) 2021-06-10 WO disclosed
US-20200331880-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA BAYLOR COLLEGE OF MEDICINE 2020-10-22 US disclosed
US-10676455-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia BAYLOR COLLEGE OF MEDICINE (US) 2020-06-09 US disclosed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 US disclosed
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
WO-2013052943-A2 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHGIAN (US) 2013-04-11 WO disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO disclosed
US-20110312984-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-22 US disclosed
US-20110312984-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-22 US disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO disclosed
US-20100041685-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US disclosed
US-20100041685-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US disclosed
WO-2009149192-A1 STAT3 INHIBITORS BAYLOR COLLEGE OF MEDICINE (US) 2009-12-10 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 (9 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-10676455-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 BRAF 2814/4885MCL1 2021/4885BCL2A1 1026/4885
US-11161831-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 BRAF 2814/4885MCL1 2021/4885BCL2A1 1026/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 BRAF 650/4885MCL1 54/4885BCL2A1 1231/4885
US-20200331880-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 BRAF 2814/4885MCL1 2021/4885BCL2A1 1026/4885
US-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 BRAF 3736/4885MCL1 59/4885BCL2A1 3759/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 BRAF 3736/4885MCL1 59/4885BCL2A1 3759/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 BRAF 3736/4885MCL1 59/4885BCL2A1 3759/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 BRAF 3736/4885MCL1 59/4885BCL2A1 3759/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 BRAF 650/4885MCL1 54/4885BCL2A1 1231/4885

“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.