SCHEMBL2463312

SCHEMBL2463312

COc1ccc(S(=O)(=O)Nc2cc(Sc3ccccc3)c(O)c3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.72
HKDC1 Q2TB90 5/20 0.72
MEN1 O00255 4/20 0.72
POLB P06746 4/20 0.72
KMT2A Q03164 4/20 0.72
G6PD P11413 3/20 0.72
TDP2 O95551 2/20 0.72
CFTR P13569 2/20 0.72
GOPC Q9HD26 2/20 0.72
APAF1 O14727 1/20 0.72
NSD2 O96028 1/20 0.72
CASP3 P42574 1/20 0.72
RAB9A P51151 1/20 0.72
SENP8 Q96LD8 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
KEAP1 Q14145 6/20 0.69
NFE2L2 Q16236 6/20 0.69
ALDH1A1 P00352 3/20 0.69
GAA P10253 3/20 0.69

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
SCHEMBL28423886 0.97 MCL1 (0.70) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL13509784 0.91 MCL1 (0.73) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL13509778 0.91 MCL1 (0.61) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL13509737 0.89 KEAP1 (0.63) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL13509779 0.89 MCL1 (0.65) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL22252266 0.89 KEAP1 (0.62) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL2459723 0.88 STAT3 (0.73) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL13509694 0.88 MEN1 (0.75) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL13509685 0.87 MCL1 (0.71) MCL1HKDC1MEN1POLBKMT2A
SCHEMBL13509715 0.87 ABL1 (0.64) MCL1HKDC1MEN1POLBKMT2A

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 27 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
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-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20150051233-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF FIBROSIS BAYLOR COLLEGE OF MEDICINE 2015-02-19 US disclosed
US-8779001-B2 Stat3 inhibitors The United States of America National Institute of Health (NIH) (US) 2014-07-15 US disclosed
US-8779001-B2 Stat3 inhibitors The United States of America National Institute of Health (NIH) (US) 2014-07-15 US 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 (10 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-20150051233-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF FIBROSIS STAT3, MMP1, MMP8 MCL1 2185/4885HKDC1 2208/4885MEN1 4463/4885
US-10676455-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 MCL1 2021/4885HKDC1 1925/4885MEN1 4666/4885
US-11161831-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 MCL1 2021/4885HKDC1 1925/4885MEN1 4666/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 MCL1 54/4885HKDC1 3473/4885MEN1 3720/4885
US-20200331880-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 MCL1 2021/4885HKDC1 1925/4885MEN1 4666/4885
US-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 MCL1 59/4885HKDC1 3786/4885MEN1 4495/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MCL1 59/4885HKDC1 3786/4885MEN1 4495/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MCL1 59/4885HKDC1 3786/4885MEN1 4495/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MCL1 59/4885HKDC1 3786/4885MEN1 4495/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 MCL1 54/4885HKDC1 3473/4885MEN1 3720/4885

“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.