SCHEMBL4289063

SCHEMBL4289063

Cc1cc(C)c(S(=O)(=O)N(CCCCCBr)c2c3ccccc3nc3ccccc23)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 17/20 0.46
NFE2L2 Q16236 16/20 0.46
NR3C1 P04150 1/20 0.35
GBA1 P04062 1/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL6433695 0.99 KEAP1 (0.47) KEAP1NFE2L2NR3C1GBA1CACNA2D1
SCHEMBL7518492 0.69 TSHR (0.39) KEAP1NFE2L2NR3C1
SCHEMBL13624812 0.69 CACNA2D1 (0.42) CACNA2D1
SCHEMBL8577655 0.68 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL4743575 0.68 MCHR1 (0.40) KEAP1NFE2L2
SCHEMBL5963054 0.68 TSHR (0.40) KEAP1NFE2L2NR3C1
SCHEMBL5963157 0.67 RAPGEF4 (0.36) KEAP1NFE2L2NR3C1
SCHEMBL7518369 0.67 CA9 (0.40) KEAP1NFE2L2NR3C1
SCHEMBL4743629 0.67 SMN1; SMN2 (0.39) KEAP1NFE2L2
SCHEMBL4296647 0.65 SMN1; SMN2 (0.54) KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. 2005-10-20 US disclosed
EP-1574507-A2 Furo- and pyrano-naphthoquinones and their use in the treatment of cancer SLIL Biomedical Corporation (US) 2005-09-14 EP disclosed
US-20050010060-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION (US) 2005-01-13 US disclosed
US-6809176-B2 Quinones as disease therapies SLIL BIOMEDICAL, CORPORATION 2004-10-26 US disclosed
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases SLIL BIOMEDICAL CORPORATION (US) 2004-01-08 US disclosed
US-6649587-B1 Cytostatic or cytocidal componenet conjugated to a polypeptide recognized and cleaved by enzymes such as prostate specific antigen (PSA) and cathepsin B SLIL BIOMEDICAL CORPORATION 2003-11-18 US disclosed
US-20030013677-A1 QUINONES AS DISEASE THERAPIES CELLGATE, INC. 2003-01-16 US disclosed
US-20020183512-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION 2002-12-05 US disclosed
US-6482943-B1 Quinones as disease therapies SLIL BIOMEDICAL CORPORATION 2002-11-19 US disclosed
EP-1185493-A1 QUINONES FOR TREATMENT OF DISEASES SLIL Biomedical Corporation (US) 2002-03-13 EP disclosed
EP-1173223-A2 CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES Slil Biomedical Corporation (US) 2002-01-23 EP disclosed
WO-2000066175-A2 CONJUGATES AS THERAPIES FOR CANCER AND PROSTATE DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066528-A2 QUINONES FOR TREATMENT OF DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 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 (7 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-20050010060-A1 Novel quinones as disease therapies NQO1, NDUFV2, SDHB KEAP1 8/4885NFE2L2 84/4885NR3C1 2410/4885
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV KEAP1 735/4885NFE2L2 723/4885NR3C1 4866/4885
US-20030013677-A1 QUINONES AS DISEASE THERAPIES NQO1, NDUFV2, SDHB KEAP1 14/4885NFE2L2 88/4885NR3C1 2225/4885
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 KEAP1 685/4885NFE2L2 1087/4885NR3C1 4828/4885
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV KEAP1 735/4885NFE2L2 723/4885NR3C1 4866/4885
US-20020183512-A1 Novel quinones as disease therapies NQO1, NDUFV2, SDHB KEAP1 8/4885NFE2L2 84/4885NR3C1 2410/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV KEAP1 735/4885NFE2L2 723/4885NR3C1 4866/4885

“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.