SCHEMBL12002472

SCHEMBL12002472

O=C(O)C(Cc1ccc(O)cc1)NC(=S)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.72
▸ CA2 P00918 4/20 0.72
▸ GAA P10253 3/20 0.60
▸ KMT2A Q03164 2/20 0.58
▸ MME P08473 1/20 0.55
▸ LMNA P02545 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ FOLH1 Q04609 1/20 0.52
▸ NAALAD2 Q9Y3Q0 1/20 0.52
▸ ACE P12821 2/20 0.52
▸ FPR2 P25090 5/20 0.51
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL12002473 1.00 CA1 (0.72) CA1CA2GAAKMT2AMME
SCHEMBL12002557 0.91 CA1 (0.74) CA1CA2GAAKMT2AMME
SCHEMBL12002558 0.91 CA1 (0.74) CA1CA2GAAKMT2AMME
SCHEMBL20335037 0.87 ALDH1A1 (0.59) CA1CA2GAAKMT2ALMNA
SCHEMBL20335039 0.87 ALDH1A1 (0.59) CA1CA2GAAKMT2ALMNA
SCHEMBL24064907 0.86 CA1 (0.62) CA1CA2GAAMMEFOLH1
SCHEMBL6021262 0.83 CTSL (0.68) CA1CA2
SCHEMBL20335071 0.82 CA1 (0.70) CA1CA2GAAKMT2AFPR2
SCHEMBL20335070 0.82 CA1 (0.70) CA1CA2GAAKMT2AFPR2
SCHEMBL6019837 0.80 CTSL (0.55) CA1CA2GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140297195-A1 Method and Use of Metabolites for the Diagnosis of Inflammatory Brain Injury in Preterm Born Infants INFANDX AG (DE) 2014-10-02 — — US claimed
WO-2012113834-A1 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS OF INFLAMMATORY BRAIN INJURY IN PRETERM BORN INFANTS BIOCRATES LIFE SCIENCES AG (AT) 2012-08-30 — — WO claimed
EP-2492690-A1 Method and use of metabolites for the diagnosis of inflammatory brain injury in preterm born infants BIOCRATES Life Sciences AG (AT) 2012-08-29 — — EP claimed
US-20210372959-A1 Nanopore Method for Identifying Single Amino Acid in Oligopeptides UNIVERSITY OF SOUTH CAROLINA (US) 2021-12-02 — — US disclosed
EP-2678690-B1 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS OF INFLAMMATORY BRAIN INJURY IN PRETERM BORN INFANTS INFANDX AG (DE) 2018-01-24 — — EP disclosed
US-20140297195-A1 Method and Use of Metabolites for the Diagnosis of Inflammatory Brain Injury in Preterm Born Infants INFANDX AG (DE) 2014-10-02 — — US disclosed
WO-2012113834-A1 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS OF INFLAMMATORY BRAIN INJURY IN PRETERM BORN INFANTS BIOCRATES LIFE SCIENCES AG (AT) 2012-08-30 — — WO disclosed
EP-2492690-A1 Method and use of metabolites for the diagnosis of inflammatory brain injury in preterm born infants BIOCRATES Life Sciences AG (AT) 2012-08-29 — — EP disclosed
Send feedback