SCHEMBL2243188

SCHEMBL2243188

CC(CSc1cc(NS(=O)(=O)c2cc(Cl)c(Cl)s2)c2ccccc2c1O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.54
KEAP1 Q14145 6/20 0.52
NFE2L2 Q16236 6/20 0.52
BCL2 P10415 4/20 0.52
BCL2L1 Q07817 4/20 0.52
BCL2A1 Q16548 4/20 0.52
BCL2L2 Q92843 4/20 0.52
BID P55957 1/20 0.52
HKDC1 Q2TB90 9/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
BLM P54132 5/20 0.50
POLB P06746 5/20 0.50
G6PD P11413 4/20 0.50
CFTR P13569 3/20 0.50
RAB9A P51151 3/20 0.50
GOPC Q9HD26 3/20 0.50
FABP4 P15090 1/20 0.50
HK1 P19367 2/20 0.48
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL2239440 0.85 MCL1 (0.72) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL12351822 0.85 MCL1 (0.60) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL2243195 0.83 MCL1 (0.52) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL2243190 0.81 HKDC1 (0.55) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL2241113 0.73 MCL1 (0.71) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL12351916 0.72 MCL1 (0.58) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL14842668 0.70 MCL1 (1.00) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL14851482 0.69 MCL1 (1.00) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL2244145 0.68 MCL1 (1.00) MCL1KEAP1NFE2L2BCL2BCL2L1
SCHEMBL2240512 0.68 MCL1 (0.77) MCL1KEAP1NFE2L2BCL2BCL2L1

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 9 patents. 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
US-8673910-B2 Proteasome inhibitors for selectively inducing apoptosis in cancer cells H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2014-03-18 US disclosed
US-8466157-B2 Proteasome inhibitors having chymotrypsin-like activity UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-18 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
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

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

For each of this compound's patents that has machine-readable text (2 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 62/4885KEAP1 332/4885NFE2L2 625/4885
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY PSMB4, PSME4, PSMB1 MCL1 751/4885KEAP1 352/4885NFE2L2 1376/4885

“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.