SCHEMBL2239377

SCHEMBL2239377

Cn1nnnc1Sc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 1.00
▸ KEAP1 Q14145 2/20 0.57
▸ NFE2L2 Q16236 2/20 0.57
▸ BCL2A1 Q16548 2/20 0.57
▸ BCL2 P10415 1/20 0.57
▸ BID P55957 1/20 0.57
▸ BCL2L1 Q07817 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ BCL2L2 Q92843 1/20 0.57
▸ EP300 Q09472 1/20 0.57
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HKDC1 Q2TB90 1/20 0.47
▸ MMP2 P08253 1/20 0.43
▸ STAT3 P40763 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL2781467 0.85 KEAP1 (0.76) BRAFKEAP1NFE2L2BCL2A1BCL2
SCHEMBL2779521 0.85 BRAF (0.74) BRAFKEAP1NFE2L2BCL2A1BCL2
SCHEMBL12351814 0.85 BRAF (0.74) BRAFKEAP1NFE2L2BCL2A1BCL2
SCHEMBL2778910 0.83 BRAF (0.70) BRAFKEAP1NFE2L2MCL1EP300
SCHEMBL2778927 0.82 BRAF (0.69) BRAFKEAP1NFE2L2BCL2A1BCL2
SCHEMBL2780397 0.82 BRAF (0.69) BRAFKEAP1NFE2L2BCL2A1BCL2
SCHEMBL2777007 0.81 BRAF (0.68) BRAFKEAP1NFE2L2BCL2A1MCL1
SCHEMBL26017606 0.81 BRAF (0.68) BRAFKEAP1NFE2L2BCL2A1BCL2
SCHEMBL2781253 0.80 BRAF (0.67) BRAFKEAP1NFE2L2MCL1EP300
SCHEMBL2467092 0.80 BRAF (1.00) BRAFKEAP1NFE2L2BCL2A1BCL2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-8466157-B2 Proteasome inhibitors having chymotrypsin-like activity UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-18 — — 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-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

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 BRAF 1168/4885KEAP1 332/4885NFE2L2 625/4885
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY PSMB4, PSME4, PSMB1 BRAF 2332/4885KEAP1 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.

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