SCHEMBL2243133

SCHEMBL2243133

O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 1.00
KEAP1 Q14145 7/20 0.73
NFE2L2 Q16236 7/20 0.73
HKDC1 Q2TB90 2/20 0.73
KDM4E B2RXH2 2/20 0.73
MEN1 O00255 2/20 0.73
ALDH1A1 P00352 2/20 0.73
POLB P06746 2/20 0.73
GAA P10253 2/20 0.73
MAPT P10636 2/20 0.73
THRB P10828 2/20 0.73
BLM P54132 2/20 0.73
CASP6 P55212 2/20 0.73
KMT2A Q03164 2/20 0.73
MCL1 Q07820 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
G6PD P11413 1/20 0.73
MPI P34949 1/20 0.73
HTT P42858 1/20 0.73

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
SCHEMBL13510159 0.81 BRAF (0.69) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL2467092 0.81 BRAF (1.00) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL12351863 0.79 BRAF (0.74) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL26017606 0.78 BRAF (0.68) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL26017551 0.77 BRAF (0.69) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL13509974 0.77 HTT (0.74) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL2241319 0.77 BRAF (0.75) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL2240512 0.76 MCL1 (0.77) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL13510282 0.76 BRAF (0.67) BRAFKEAP1NFE2L2HKDC1KDM4E
SCHEMBL2241127 0.75 MCL1 (0.75) BRAFKEAP1NFE2L2HKDC1MEN1

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 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.