SCHEMBL198715

SCHEMBL198715

CCCC[C@@H](NO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.53
CA2 P00918 3/20 0.50
MAPK1 P28482 1/20 0.50
HDAC2 Q92769 1/20 0.45
CA1 P00915 1/20 0.45
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
MME P08473 1/20 0.41

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
SCHEMBL197378 1.00 NOD1 (0.53) NOD1CA2MAPK1HDAC2CA1
SCHEMBL197377 1.00 NOD1 (0.53) NOD1CA2MAPK1HDAC2CA1
SCHEMBL11057343 0.93 NOD1 (0.56) NOD1GPR84FFAR1SLC1A2SLC1A1
Sulfuric Acid SCHEMBL5549277 0.92 NOD1 (0.47) NOD1CA2MAPK1HDAC2CA1
SCHEMBL7100031 0.91 NOD1 (0.59) NOD1GPR84FFAR1MAPTLCK
SCHEMBL617558 0.86
SCHEMBL1604327 0.86
SCHEMBL2172011 0.86
SCHEMBL6238817 0.84 CA2 (0.52) NOD1CA2MAPK1HDAC2CA1
Butane SCHEMBL15570208 0.84 HDAC1 (0.48) NOD1CA2MAPK1HDAC2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130316409-A1 Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2013-11-28 US claimed
EP-1242589-B1 METHODS FOR PRODUCING ENANTIOMERICALLY PURE ALPHA-SUBSTITUTED CARBOXYLIC ACIDS VERENIUM CORP (US) 2013-11-13 EP claimed
US-8501451-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2013-08-06 US claimed
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION (US) 2012-01-12 US claimed
US-20120009633-A1 NITRILASES AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2012-01-12 US claimed
US-8088613-B2 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2012-01-03 US claimed
US-8034595-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2011-10-11 US claimed
US-20090162906-A1 Biocatalysts; mutant and/or chemically modified enzymes; stereoselectively hydrolyze an amino nitrile or cyanohydrin intermediate to produce the corresponding carboxylic acid; e.g. phenylglycinonitrile from benzaldehyde, potassium cyanide and ammonium chloride VERENIUM CORPORATION (US) 2009-06-25 US claimed
US-7300775-B2 Methods for producing α-substituted carboxylic acids using nitrilases and strecker reagents VERENIUM CORPORATION (US) 2007-11-27 US claimed
EP-1242589-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE ALPHA-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2002-09-25 EP claimed
US-20020012974-A1 Genetic engineered nucleic acid promoter VERENIUM CORPORATION 2002-01-31 US claimed
WO-2001048175-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE α-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2001-07-05 WO claimed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed
US-20020012974-A1 Genetic engineered nucleic acid promoter VERENIUM CORPORATION 2002-01-31 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 (5 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-20120009633-A1 NITRILASES AND METHODS FOR MAKING AND USING THEM ASNS, DNPEP, ASPH NOD1 1952/4885CA2 44/4885MAPK1 3419/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS NOD1 1065/4885CA2 103/4885MAPK1 4224/4885
US-20090162906-A1 Biocatalysts; mutant and/or chemically modified enzymes; stereoselectively hydrolyze an amino nitrile or cyanohydrin intermediate to produce the corresponding carboxylic acid; e.g. phenylglycinonitrile from benzaldehyde, potassium cyanide and ammonium chloride PAH, ASPH, CPN1 NOD1 1337/4885CA2 56/4885MAPK1 3361/4885
US-20020012974-A1 Genetic engineered nucleic acid promoter RNGTT, ASPH, ALKBH3 NOD1 3599/4885CA2 168/4885MAPK1 4046/4885
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them RNGTT, NSUN2, NSUN3 NOD1 2102/4885CA2 882/4885MAPK1 4287/4885

“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.