SCHEMBL1712903

SCHEMBL1712903

CCCCCCCCCC(=O)CC(=O)NC(CCO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 13/20 0.61
SLC6A5 Q9Y345 2/20 0.50
HAO1 Q9UJM8 1/20 0.47
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
FAAH O00519 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL133586 1.00 NOD1 (0.61) NOD1SLC6A5HAO1PLA2G2APLA2G5
SCHEMBL5162312 1.00 NOD1 (0.61) NOD1SLC6A5HAO1PLA2G2APLA2G5
SCHEMBL1449056 0.98 NOD1 (0.59) NOD1SLC6A5HAO1PLA2G2APLA2G5
SCHEMBL1449055 0.98 NOD1 (0.59) NOD1SLC6A5HAO1PLA2G2APLA2G5
Lactic Acid SCHEMBL28953041 0.94 NOD1 (0.56) NOD1SLC6A5HAO1PLA2G2APLA2G5
SCHEMBL22996019 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL5122358 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL17941648 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL9829330 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL131586 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1

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
CN-107308186-A It is used for the biomedical applications and the bismuth mercaptan of other purposes for the treatment of for including bacterial biof iotalm as antiseptic 微生物公司 2017-11-03 CN disclosed
US-20150139973-A1 OPHTHALMOLOGICAL VEHICLE SYSTEM FOR DRUGS, OPHTHALMOLOGICAL KIT AND ALSO USE OF AN OPHTHALMOLOGICAL COMPOSITION F. HOLZER GMBH (DE) 2015-05-21 US disclosed
CN-102906246-A Improved microbial fuel cell BACTERIAL ROBOTICS LLC 2013-01-30 CN disclosed
CN-101590037-B Andrographolidume composition and application thereof UNIV JINAN 2011-09-07 CN disclosed
EP-2344171-A2 MODIFIED BACTERIAL CELL The University of Nottingham (GB) 2011-07-20 EP disclosed
CN-101817805-A Andrographolide derivative and preparation method and application thereof UNIV JINAN 2010-09-01 CN disclosed
US-20100184804-A1 METHODS FOR THE PREVENTION OR TREATMENT OF BACTERIAL AND FUNGAL INFECTIONS THE GENERAL HOSPITAL CORPORATION 2010-07-22 US disclosed
WO-2010032020-A2 MODIFIED BACTERIAL CELL THE UNIVERSITY OF NOTTINGHAM (GB) 2010-03-25 WO disclosed
CN-100584841-C Andrographolide derivatives and application of the same in pharmacy UNIV JINAN 2010-01-27 CN disclosed
CN-101590037-A A kind of andrographolide composition and use thereof UNIV JINAN (CN) 2009-12-02 CN disclosed
CN-101125850-A Andrographolide derivatives and application of the same in pharmacy UNIV JINAN (CN) 2008-02-20 CN disclosed
CN-1330590-C Organic waste treatment ADVANCED ENVIRONMENTAL TECHNOL (AU) 2007-08-08 CN disclosed
US-20050119302-A1 Methods for the prevention or treament of bacterial and fungal infections THE GENERAL HOSPITAL CORPORATION 2005-06-02 US disclosed
EP-1450802-A2 METHODS FOR THE PREVENTION OR TREATMENT OF BACTERIAL AND FUNGAL INFECTIONS THE GENERAL HOSPITAL CORPORATION (US) 2004-09-01 EP disclosed
WO-2003037259-A2 METHODS FOR THE PREVENTION OR TREATMENT OF BACTERIAL AND FUNGAL INFECTIONS THE GENERAL HOSPITAL CORPORATION (US) 2003-05-08 WO disclosed
US-6423312-B1 TREATING CYSTIC FIBROSIS WITH CONNECTIVE TISSUE ACTIVATING PEPTIDE III, HEPARINASES, HYALURONIDASES AND CHONDROITINASES INSIGHT STRATEGY & MARKETING LTD. (IL) 2002-07-23 US disclosed
US-20020064858-A1 COMPOSITIONS INCLUDING GLYCOSAMINOGLYCANS DEGRADING ENZYMES AND USE OF SAME AGAINST SURFACE PROTECTED BACTERIA INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2002-05-30 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 (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-20100184804-A1 METHODS FOR THE PREVENTION OR TREATMENT OF BACTERIAL AND FUNGAL INFECTIONS VAC14, ST14, RPL14 NOD1 3233/4885SLC6A5 4597/4885HAO1 1229/4885
US-20050119302-A1 Methods for the prevention or treament of bacterial and fungal infections VAC14, ST14, TCOF1 NOD1 2570/4885SLC6A5 4085/4885HAO1 1885/4885

“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.