SCHEMBL220339

SCHEMBL220339

NC(CSN=O)C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS1 P23219 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
ECE1 P42892 2/20 0.37
MME P08473 5/20 0.36
ACE P12821 3/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
GLO1 Q04760 2/20 0.34
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
NPEPPS P55786 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL220338 1.00 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL8815517 0.82 PTGS1 (0.41) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL8815511 0.82 PTGS1 (0.41) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL14789149 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL23138340 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL16259997 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL16260027 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
S-Nitrosoglutathione SCHEMBL6802668 0.77 PTGS1 (0.64) PTGS1GSTK1GLO1
S-Nitrosoglutathione SCHEMBL154575 0.76 PTGS1 (0.67) PTGS1GSTK1GLO1
S-Nitrosoglutathione SCHEMBL30637209 0.76 PTGS1 (0.67) PTGS1GSTK1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374562-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS EPICENTRX, INC. (US) 2024-11-14 US claimed
WO-2024189434-A1 USE OF NADOLOL TO TREAT PULMONARY SYMPTOMS ASSOCIATED WITH INFECTIONS WITH SARS-CoV-2 CHRONIC AIRWAY THERAPEUTICS LIMITED (AU) 2024-09-19 WO claimed
CN-117999073-A Use of nadolol to treat chronic obstructive pulmonary disease by blocking the inhibitor protein-2 pathway 慢性呼吸道治疗有限公司 2024-05-07 CN claimed
EP-4304717-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY Chronic Airway Therapeutics Limited (AU) 2024-01-17 EP claimed
WO-2022192252-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY CHRONIC AIRWAY THERAPEUTICS LIMITED (AU) 2022-09-15 WO claimed
CN-107454849-B Method for sterilizing S-nitrosothiols 萨卢庞特咨询有限公司 2021-09-03 CN claimed
EP-3027180-B1 COMPOSITIONS AND METHODS OF THE TREATMENT OF FATTY ACID METABOLISM DISORDERS CHILDRENS HOSPITAL PHILADELPHIA (US) 2021-07-07 EP claimed
US-20190336602-A1 STERILISATION OF S-NITROSOTHIOLS Salupont Consulting Ltd. (GB) 2019-11-07 US claimed
US-20180297931-A1 Compositions and Methods for the Treatment of Fatty Acid Metabolism Disorders THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2018-10-18 US claimed
EP-3370714-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FATTY ACID METABOLISM DISORDERS The Children's Hospital of Philadelphia (US) 2018-09-12 EP claimed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 WO claimed
WO-2002034303-A1 METHODS OF TREATING VASCULAR DISEASES CHARACTERIZED BY NITRIC OXIDE INSUFFICIENCY NITROMED, INC. (US) 2002-05-02 WO claimed
US-20010046471-A1 Infrared thermograpy and methods of use NICOX S.A. (FR) 2001-11-29 US claimed
WO-2001085013-A2 INFRARED THERMOGRAPHY AND METHODS OF USE NITROMED, INC. (US) 2001-11-15 WO claimed
US-20010041726-A1 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) NICOX S.A. (FR) 2001-11-15 US claimed
WO-2001045703-A1 NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2001-06-28 WO claimed
US-6203789-B1 TREATING ERYTHROCYTES WITH S-NITROSO-CYSTEINE, HOMOCYSTEINE, OR CYSTEINYLGLYCINE TO REDUCE BLOOD PRESSURE DUKE UNIVERSITY 2001-03-20 US claimed
US-6197745-B1 USING AQUEOUS SOLUTION OF NITROSOTHIOL DUKE UNIVERSITY 2001-03-06 US claimed
US-6153186-A LOADING OF RED BLOOD CELLS WITH A LOW MOLECULAR WEIGHT NITROSOTHIOL WHICH IS CAPABLE OF ENTERING THE RED BLOOD CELL AND CAUSING FORMATION OF S-NITROSYLATION OF THIOL GROUPS SUCH AS S-NITROSOCYSTEIN AND OTHER RELATED PEPTIDES DUKE UNIVERSITY MEDICAL CENTER (US) 2000-11-28 US claimed
WO-1997018000-A1 S-NITROSO-HEMOGLOBIN AND THERAPEUTIC USES THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1997-05-22 WO 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 (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-20190336602-A1 STERILISATION OF S-NITROSOTHIOLS SULT1A1, SRM, SULT2A1 ALDH1A1 285/4885MAPT 2914/4885LMNA 2947/4885
US-20240374562-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS HBB, HBG2, HBZ ALDH1A1 1464/4885MAPT 4665/4885LMNA 2548/4885
US-20010041726-A1 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) PTGS1, PTGS2, PTGES ALDH1A1 334/4885MAPT 4664/4885LMNA 3152/4885

“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.