SCHEMBL2241127

SCHEMBL2241127

O=S(=O)(Nc1cc(SCCO)c(O)c2ccccc12)c1cccs1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.75
BCL2A1 Q16548 3/20 0.75
BCL2 P10415 2/20 0.75
BCL2L1 Q07817 2/20 0.75
BCL2L2 Q92843 2/20 0.75
BID P55957 1/20 0.75
KEAP1 Q14145 1/20 0.75
NFE2L2 Q16236 1/20 0.75
BRAF P15056 9/20 0.69
HKDC1 Q2TB90 5/20 0.55
HK1 P19367 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
EP300 Q09472 1/20 0.51

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
SCHEMBL2238806 0.88 MCL1 (0.81) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL2240512 0.88 MCL1 (0.77) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL2240129 0.86 MCL1 (0.71) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL2244145 0.86 MCL1 (1.00) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL14851507 0.86 MCL1 (0.77) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL2242256 0.86 MCL1 (0.70) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL12351808 0.85 MCL1 (0.82) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL2239698 0.85 MCL1 (0.69) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL2241324 0.82 MCL1 (0.66) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL2467092 0.82 BRAF (1.00) MCL1BCL2A1BCL2BCL2L1BCL2L2

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 12 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-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-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 MCL1 62/4885BCL2A1 84/4885BCL2 50/4885
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY PSMB4, PSME4, PSMB1 MCL1 751/4885BCL2A1 1893/4885BCL2 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.