SCHEMBL838775

SCHEMBL838775

NC(Cc1csc2ccc(Cl)cc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.63
NFE2L2 Q16236 1/20 0.63
CYP2A6 P11509 3/20 0.57
EPHX1 P07099 1/20 0.52
CA2 P00918 1/20 0.51
MAPT P10636 1/20 0.51
CPB1 P15086 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TNF P01375 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 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
SCHEMBL21411562 1.00 KEAP1 (0.63) KEAP1NFE2L2CYP2A6EPHX1CA2
SCHEMBL5330046 0.84 KDM4E (0.56) KEAP1NFE2L2CYP2A6MAPTPKM
SCHEMBL837538 0.84 KEAP1 (0.54) KEAP1NFE2L2CYP2A6EPHX1CA2
SCHEMBL14944882 0.80 CYP2A6 (0.64) KEAP1NFE2L2CYP2A6EPHX1CA2
SCHEMBL1421072 0.80 CYP2A6 (0.54) CYP2A6CA2MAPTSMN1; SMN2PKM
SCHEMBL2466886 0.80 CYP2A6 (0.54) CYP2A6CA2MAPTSMN1; SMN2PKM
SCHEMBL29373380 0.80 CYP2A6 (0.54) CYP2A6CA2MAPTSMN1; SMN2PKM
SCHEMBL514509 0.80 CYP2A6 (0.54) CYP2A6CA2MAPTSMN1; SMN2PKM
SCHEMBL514508 0.80 CYP2A6 (0.54) CYP2A6CA2MAPTSMN1; SMN2PKM
SCHEMBL13995271 0.79 KEAP1 (0.69) KEAP1NFE2L2CYP2A6EPHX1CA2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339193-B2 CDP protein secretion inhibitors KEZAR LIFE SCIENCES (US) 2022-05-24 US disclosed
CN-112513065-A CDP protein secretion inhibitors 科智生命科学公司 2021-03-16 CN disclosed
EP-3774850-A1 CDP PROTEIN SECRETION INHIBITORS Kezar Life Sciences (US) 2021-02-17 EP disclosed
US-20210017233-A1 CDP PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2021-01-21 US disclosed
WO-2019191527-A1 CDP PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-10-03 WO disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 EP disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 EP disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8143300-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-27 US disclosed
EP-2384753-A1 Hydantoin derivatives as inhibitors of cellular necrosis The Brigham and Women's Hospital, Inc. (US) 2011-11-09 EP disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
EP-1663184-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-07 EP disclosed
WO-2005077344-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-08-25 WO disclosed
US-20050119260-A1 Inhibitors of cellular necrosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-02 US 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP KEAP1 1624/4885NFE2L2 4406/4885CYP2A6 2915/4885
US-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD KEAP1 1043/4885NFE2L2 874/4885CYP2A6 4707/4885
US-11339193-B2 CDP protein secretion inhibitors SEC61G, SEC61A1, SEC61B KEAP1 2010/4885NFE2L2 4136/4885CYP2A6 2909/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD KEAP1 1043/4885NFE2L2 874/4885CYP2A6 4707/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS KEAP1 1821/4885NFE2L2 4524/4885CYP2A6 2934/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KEAP1 1699/4885NFE2L2 4411/4885CYP2A6 2797/4885
US-20210017233-A1 CDP PROTEIN SECRETION INHIBITORS SEC61G, SEC61A1, SEC61B KEAP1 2010/4885NFE2L2 4136/4885CYP2A6 2909/4885

“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.