SCHEMBL2241344

SCHEMBL2241344

O=C(O)CSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 1.00
HKDC1 Q2TB90 7/20 1.00
BCL2 P10415 6/20 0.87
BCL2L1 Q07817 6/20 0.87
BCL2A1 Q16548 6/20 0.87
BCL2L2 Q92843 6/20 0.87
KEAP1 Q14145 6/20 0.85
NFE2L2 Q16236 6/20 0.85
POLB P06746 6/20 0.85
KMT2A Q03164 6/20 0.85
MEN1 O00255 5/20 0.85
BLM P54132 5/20 0.85
CFTR P13569 5/20 0.85
GOPC Q9HD26 5/20 0.85
TDP2 O95551 5/20 0.85
G6PD P11413 5/20 0.85
RAB9A P51151 3/20 0.85
HK1 P19367 3/20 0.85
NSD2 O96028 3/20 0.85
EP300 Q09472 2/20 0.85

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
SCHEMBL2239398 0.93 MCL1 (1.00) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL14851295 0.92 MCL1 (1.00) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL29373585 0.92 MCL1 (1.00) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL1428457 0.92 EP300 (1.00) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL2239169 0.92 MCL1 (1.00) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL14842934 0.92 MCL1 (1.00) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL14851297 0.92 MCL1 (1.00) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL14842477 0.91 MCL1 (1.00) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL14851320 0.91 MCL1 (0.83) MCL1HKDC1BCL2BCL2L1BCL2A1
SCHEMBL14851328 0.91 MCL1 (0.83) MCL1HKDC1BCL2BCL2L1BCL2A1

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
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-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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 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 (3 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 62/4885HKDC1 3823/4885BCL2 50/4885
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 MCL1 393/4885HKDC1 370/4885BCL2 2340/4885
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY PSMB4, PSME4, PSMB1 MCL1 751/4885HKDC1 4516/4885BCL2 2753/4885

“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.