SCHEMBL2781253

SCHEMBL2781253

Cn1nnnc1Sc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.67
KEAP1 Q14145 7/20 0.61
NFE2L2 Q16236 7/20 0.61
EP300 Q09472 4/20 0.61
CCR1 P32246 2/20 0.51
CCR2 P41597 2/20 0.51
CCR4 P51679 2/20 0.51
HKDC1 Q2TB90 3/20 0.49
HK1 P19367 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
BLM P54132 3/20 0.46
MCL1 Q07820 3/20 0.46
G6PD P11413 2/20 0.46
CFTR P13569 1/20 0.46
FABP4 P15090 1/20 0.46

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
SCHEMBL2780397 0.91 BRAF (0.69) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL2781467 0.88 KEAP1 (0.76) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL2777007 0.88 BRAF (0.68) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL2778910 0.88 BRAF (0.70) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL2778927 0.87 BRAF (0.69) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL2779521 0.83 BRAF (0.74) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL2239377 0.80 BRAF (1.00) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL13509739 0.71 STAT3 (0.66) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL13509712 0.71 STAT3 (0.57) BRAFKEAP1NFE2L2EP300HKDC1
SCHEMBL13509686 0.69 MCL1 (0.71) BRAFKEAP1NFE2L2EP300HKDC1

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-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-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
WO-2010102286-A2 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-09-10 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 (1 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-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.