SCHEMBL663171

SCHEMBL663171

CC(=O)N[C@@H](CS)C(=O)OC(=O)[C@@H](N)CCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CPB2 Q96IY4 2/20 0.41
GSR P00390 1/20 0.40
TLR2 O60603 4/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37

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
SCHEMBL7934243 0.84 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL893719 0.83 SIRT6 (0.42) SIRT6SIRT1GSRTLR2DPP8
SCHEMBL4272066 0.80 GSR (0.52) CPB2GSRDPP8DPP9DPP7
Acetylcysteine SCHEMBL663170 0.80 BLM (0.62) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL663169 0.80 BLM (0.62) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL893717 0.80 BLM (0.62) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999610 0.80 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5599294 0.80 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999598 0.80 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20240364 0.78 GSR (0.61) CPB2GSRDPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169380-A1 AGRICULTURAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF BACTERIAL DISEASES AND DISORDERS Amazon Agrosciences Ltda (BR) 2023-04-26 EP claimed
US-20210392886-A1 Agricultural Composition for the Treatment and Prevention of Bacterial Diseases and Disorders Instituto Agronômico (IAC) (BR) 2021-12-23 US claimed
US-20160231323-A1 PROTECTION OF TCR SIGNALING CHAINS IN CANCER PATIENTS AND ENHANCEMENT OF CAR-T CELL THERAPY Batu Biologics, Inc. (US) 2016-08-11 US claimed
US-20140030323-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS, INC. (US) 2014-01-30 US claimed
US-20140024857-A1 CYSTEINE AMINO-ACID COMPOUND (OR ITS ANALOGUES) USED IN THE DISRUPTION OF MICROBIAL BIOFILMS WHEN TREATING OR PREVENTING DISEASES CAUSED BY PHYTOPATHOGENIC BACTERIA KNOWN TO ATTACK PLANTS OF AGRICULTURAL INTEREST INSTITUTO AGRONOMICO DE CAMPINAS - IAC (BR) 2014-01-23 US claimed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US claimed
WO-2009137827-A2 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS, INC. (US) 2009-11-12 WO claimed
EP-1465614-B1 A NUTRIENT PHARMACEUTICAL FORMULATION COMPRISING POLYPHENOLS AND USE IN TREATMENT OF CANCER RATH MATTHIAS (NL) 2008-01-02 EP claimed
EP-4169380-A1 AGRICULTURAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF BACTERIAL DISEASES AND DISORDERS Amazon Agrosciences Ltda (BR) 2023-04-26 EP disclosed
CN-115315292-A Compositions having thioredoxin activity and related methods 奥普罗治疗公司 2022-11-08 CN disclosed
US-20210392886-A1 Agricultural Composition for the Treatment and Prevention of Bacterial Diseases and Disorders Instituto Agronômico (IAC) (BR) 2021-12-23 US disclosed
US-20140030323-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-8524772-B2 Controlled release of N-acetylcysteine (NAC) for reduction of systemic and/or vascular inflammation TIARA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US disclosed
US-20110244045-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS ,INC. (US) 2011-10-06 US disclosed
WO-2009137827-A2 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS, INC. (US) 2009-11-12 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 (3 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-20140030323-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION IL6, IL1B, NACA KDM4E 4849/4885MAPT 2103/4885THRB 3934/4885
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR GRM6, GRM5, GRM7 KDM4E 1271/4885MAPT 3237/4885THRB 1739/4885
US-20110244045-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION IL6, IL1B, NACA KDM4E 4849/4885MAPT 2103/4885THRB 3934/4885

“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.