SCHEMBL2244145

SCHEMBL2244145

O=C(O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 1.00
BCL2A1 Q16548 7/20 1.00
KEAP1 Q14145 7/20 1.00
NFE2L2 Q16236 7/20 1.00
BCL2 P10415 6/20 1.00
BCL2L1 Q07817 6/20 1.00
BCL2L2 Q92843 6/20 1.00
BID P55957 1/20 1.00
HKDC1 Q2TB90 5/20 0.72
BRAF P15056 1/20 0.71
MEN1 O00255 4/20 0.66
BLM P54132 4/20 0.66
KMT2A Q03164 4/20 0.66
POLB P06746 3/20 0.66
G6PD P11413 3/20 0.66
CFTR P13569 2/20 0.66
RAB9A P51151 2/20 0.66
EP300 Q09472 2/20 0.66
GOPC Q9HD26 2/20 0.66
HK1 P19367 2/20 0.66

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
SCHEMBL12351808 0.90 MCL1 (0.82) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL2238806 0.89 MCL1 (0.81) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL14851507 0.87 MCL1 (0.77) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL2240512 0.87 MCL1 (0.77) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL2244161 0.86 MCL1 (0.75) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL2241127 0.86 MCL1 (0.75) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL2780138 0.85 MCL1 (0.74) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL2241344 0.84 MCL1 (1.00) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL2240129 0.83 MCL1 (0.71) MCL1BCL2A1KEAP1NFE2L2BCL2
SCHEMBL2467092 0.83 BRAF (1.00) MCL1BCL2A1KEAP1NFE2L2BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466157-B2 Proteasome inhibitors having chymotrypsin-like activity UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-18 US claimed
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-06-07 US claimed
WO-2010102286-A2 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-09-10 WO claimed
WO-2020224364-A1 APPLICATION OF MCL1 PROTEIN INHIBITOR IN PREPARATION OF DRUG FOR TREATING INFLAMMATION AND NEURODEGENERATIVE DISEASE 浙江大学 2020-11-12 WO disclosed
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP 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-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-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US disclosed
US-20140235702-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF WAYNE STATE UNIVERSITY 2014-08-21 US disclosed
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-06-07 US disclosed
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-06-07 US disclosed
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-06-07 US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
WO-2010102286-A2 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-09-10 WO disclosed
WO-2010005534-A2 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-01-14 WO disclosed
WO-2010005534-A2 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-01-14 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 (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-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS PSMB7, PSMD7, PSMB6 MCL1 62/4885BCL2A1 84/4885KEAP1 332/4885
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 MCL1 393/4885BCL2A1 2779/4885KEAP1 2212/4885
US-20140235702-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF MCL1, BCL2L1, BCL2L11 MCL1 1/4885BCL2A1 8/4885KEAP1 44/4885
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY PSMB4, PSME4, PSMB1 MCL1 751/4885BCL2A1 1893/4885KEAP1 352/4885

“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.