Acetylcysteine

Acetylcysteine

SCHEMBL663169

CC(=O)NC(CS)C(=O)O.NCCCC[C@H](N)C(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Acetylcysteine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 1/20 0.62
PTGS1 known ✓ P23219 1/20 0.41
BLM P54132 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
THRB P10828 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
THPO P40225 1/20 0.62
RECQL P46063 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GSR P00390 1/20 0.59
CPB2 Q96IY4 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
FOLH1 Q04609 1/20 0.43
NOS2 P35228 5/20 0.43
NOS1 P29475 4/20 0.43
NOS3 P29474 3/20 0.43
MEN1 O00255 1/20 0.43

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
Acetylcysteine SCHEMBL893717 1.00 BLM (0.62) BLMKDM4EMAPTTHRBALOX15
Acetylcysteine SCHEMBL663170 1.00 BLM (0.62) BLMKDM4EMAPTTHRBALOX15
Acetylcysteine SCHEMBL27772811 0.95 KDM4E (0.64) BLMKDM4EMAPTTHRBALOX15
Lysine SCHEMBL18006519 0.89 GSR (0.65) BLMKDM4EMAPTTHRBALOX15
Lysine SCHEMBL18006518 0.89 GSR (0.65) BLMKDM4EMAPTTHRBALOX15
Acetylcysteine SCHEMBL9016357 0.84 ALOX15 (0.70) BLMKDM4EMAPTTHRBALOX15
Acetylcysteine SCHEMBL28342967 0.84 ALOX15 (0.70) BLMKDM4EMAPTTHRBALOX15
Acetylglutamic Acid SCHEMBL11756644 0.84 FOLH1 (0.64) GSRSIRT6SIRT1FOLH1CYP1A2
SCHEMBL21828643 0.83 GSR (0.55) BLMKDM4EMAPTTHRBALOX15
SCHEMBL14957758 0.83 GSR (0.55) BLMKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150231344-A1 DRY POWDER INHALER SYSTEM GALEPHAR PHARMACEUTICAL RESEARCH, INC. (US) 2015-08-20 US claimed
EP-1658063-B1 ADVANTAGEOUS COMBINATIONS FOR INHALATION OF NACYSTELYN AND BRONCHODILATORS GALEPHAR M F (BE) 2014-03-12 EP 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-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US claimed
US-20100300440-A1 Dry powder inhaler system GALEPHAR P.R. INC. (BE) 2010-12-02 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-1603615-B1 IMPROVED DRY POWDER INHALER SYSTEM GALEPHAR M F (BE) 2008-07-09 EP claimed
US-20070071689-A1 Advantageous combination for inhalation of nacystelyn and bronchodilators GALEPHAR M/F (BE) 2007-03-29 US claimed
US-20060254583-A1 Dry powder inhaler system GALEPHAR PHARMACEUTICAL RESEARCH, INC. (PR) 2006-11-16 US claimed
US-7090870-B1 Dry power inhaler excipient, process for its preparation and pharmaceutical compositions containing it VANDERBIST FRANCIS 2006-08-15 US claimed
EP-1658063-A1 ADVANTAGEOUS COMBINATIONS FOR INHALATION OF NACYSTELYN AND BRONCHODILATORS Galephar M/F (BE) 2006-05-24 EP claimed
EP-1603615-A1 IMPROVED DRY POWDER INHALER SYSTEM Galephar M/F (BE) 2005-12-14 EP claimed
US-20050154060-A1 Anti-inflamatory inhalation pharmaceutical composition GALEPHAR PHARMACEUTICAL RESEARCH, INC. (US) 2005-07-14 US claimed
WO-2005013963-A1 ADVANTAGEOUS COMBINATIONS FOR INHALATION OF NACYSTELYN AND BRONCHODILATORS GALEPHAR M/F (BE) 2005-02-17 WO claimed
WO-2004082750-A1 IMPROVED DRY POWDER INHALER SYSTEM GALEPHAR M/F (BE) 2004-09-30 WO claimed
EP-0964675-B1 DRY POWDER INHALER EXCIPIENT, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT PHARLYSE SA (LU) 2003-09-03 EP claimed
EP-0964675-A1 DRY POWDER INHALER EXCIPIENT, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT "PHARLYSE", Société Anonyme (LU) 1999-12-22 EP claimed
WO-1998050015-A1 DRY POWDER INHALER EXCIPIENT, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT PHARLYSE, SOCIETE ANONYME (LU) 1998-11-12 WO claimed
EP-0876814-A1 Dry powder inhaler excipient, process for its preparation and pharmaceutical compositions containing it "PHARLYSE", Société Anonyme (LU) 1998-11-11 EP claimed

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-20140030323-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION IL6, IL1B, NACA PTGS2 42/4885PTGS1 28/4885BLM 3008/4885
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR GRM6, GRM5, GRM7 PTGS2 1276/4885PTGS1 1096/4885BLM 2368/4885

“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.