SCHEMBL4609709

SCHEMBL4609709

CCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.60
EPHX2 P34913 4/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FAAH O00519 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL3373560 0.86 LTB4R2 (0.46) LTB4R2EPHX2HPGDALDH1A1POLB
SCHEMBL5489422 0.84 LTB4R2 (0.42) LTB4R2HPGDALDH1A1HDAC1HDAC6
SCHEMBL9421652 0.84 AOC3 (0.43) LTB4R2HPGDALDH1A1HDAC8CNR1
SCHEMBL9787236 0.84 EPHX2 (0.56) LTB4R2EPHX2HPGDALDH1A1FAAH
SCHEMBL9709753 0.82 LTB4R2 (0.42) LTB4R2
SCHEMBL5592312 0.81 LTB4R2 (0.45) LTB4R2
SCHEMBL8473823 0.80 LTB4R2 (0.63) LTB4R2
SCHEMBL3116176 0.80 LTB4R2 (0.47) LTB4R2HPGDALDH1A1HDAC3HDAC4
SCHEMBL7575469 0.80 BDKRB1 (0.44) LTB4R2HTTBDKRB1
SCHEMBL8081241 0.80 BDKRB1 (0.44) LTB4R2BDKRB1

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
US-8981109-B2 Process for the preparation of valsartan AUROBINDO PHARMA LTD (IN) 2015-03-17 US disclosed
US-8981109-B2 Process for the preparation of valsartan AUROBINDO PHARMA LTD (IN) 2015-03-17 US disclosed
US-20130144067-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AUROBINDO PHARMA LTD (IN) 2013-06-06 US disclosed
US-20130144067-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AUROBINDO PHARMA LTD (IN) 2013-06-06 US disclosed
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION (US) 2012-01-12 US disclosed
US-7993901-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2011-08-09 US disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 EP disclosed
US-20100273659-A1 Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2010-10-28 US disclosed
US-20100216214-A1 hydrolysis of a hydroxyglutaryl nitrile to generate an ethyl 4-cyano-3-hydroxybutyrate; hydrolysis of a mandelonitrile to generate a mandelic acid; hydrolysis of phenyllactocyanonitrile to generate an (S)-phenyllactic acid VERENIUM CORPORATION (US) 2010-08-26 US disclosed
US-20100086986-A1 Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety VERENIUM CORPORATION (US) 2010-04-08 US disclosed
US-7608445-B1 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2009-10-27 US disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed
EP-1910251-A1 METHOD FOR ISOLATING 5-SUBSTITUTED TETRAZOLES Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2008-04-16 EP disclosed
US-7199144-B2 Process for the preparation of valsartan and intermediates thereof TEVA PHARMACEUTICALS INDUSTRIES, LTD. (IL) 2007-04-03 US disclosed
WO-2007014412-A1 METHOD FOR ISOLATING 5-SUBSTITUTED TETRAZOLES SANOCHEMIA PHARMAZEUTIKA AG (AT) 2007-02-08 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-20100086986-A1 Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety ASPH, AHSA1, DNPH1 LTB4R2 4046/4885EPHX2 1380/4885HPGD 226/4885
US-20130144067-A1 PROCESS FOR THE PREPARATION OF VALSARTAN TTR, VIP, VIL1 LTB4R2 189/4885EPHX2 3350/4885HPGD 1073/4885
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them RNGTT, NSUN2, NSUN3 LTB4R2 4564/4885EPHX2 3521/4885HPGD 1126/4885

“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.