SCHEMBL12704136

SCHEMBL12704136

CCCCCCCCCCC(=O)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
HSD17B3 P37058 6/20 0.49
ALDH1A1 P00352 1/20 0.47
BRD4 O60885 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
PLA2G2A P14555 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FFAR1 O14842 1/20 0.44
PLA2G5 P39877 1/20 0.44
CA2 P00918 1/20 0.43
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
PLA2G4A P47712 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
SCHEMBL29190968 0.87 TDP1 (0.63) TDP1RAB9AGAAHSD17B3ALDH1A1
SCHEMBL9151585 0.84 BAZ2B (0.68) GAAHSD17B3ALDH1A1BRD4BAZ2B
SCHEMBL9147964 0.84 BAZ2B (0.68) GAAHSD17B3ALDH1A1BRD4BAZ2B
SCHEMBL7965196 0.84 BAZ2B (0.68) GAAHSD17B3ALDH1A1BRD4BAZ2B
SCHEMBL5858863 0.82 BAZ2B (0.51) HSD17B3ALDH1A1BAZ2BBAZ2ASMN1; SMN2
SCHEMBL5859454 0.82 BAZ2B (0.51) HSD17B3ALDH1A1BAZ2BBAZ2ASMN1; SMN2
SCHEMBL9517009 0.82 BAZ2B (0.51) HSD17B3ALDH1A1BAZ2BBAZ2ASMN1; SMN2
SCHEMBL5858212 0.81 BAZ2B (0.52) HSD17B3ALDH1A1BRD4BAZ2BBAZ2A
SCHEMBL2221019 0.80 TDP1 (0.67) TDP1RAB9AGAAALDH1A1BRD4
SCHEMBL27801594 0.78 L3MBTL1 (0.53) TDP1HSD17B3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2010-01-21 US disclosed
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2010-01-21 US disclosed
US-7615572-B2 4,5-substituted pyrazole-3-carboxylic acids/esters/salts; D-amino acid oxidase (DAAO) inhibitors; increase D-Serine level; reduce level of toxic products of D-Serine oxidation; activate N-methyl-D-aspartate NMDA-glutamate receptors; neuropathic agent, schizophrenia, Alzheimer's, anaxia SEPRACOR INC. (US) 2009-11-10 US disclosed
US-7615572-B2 4,5-substituted pyrazole-3-carboxylic acids/esters/salts; D-amino acid oxidase (DAAO) inhibitors; increase D-Serine level; reduce level of toxic products of D-Serine oxidation; activate N-methyl-D-aspartate NMDA-glutamate receptors; neuropathic agent, schizophrenia, Alzheimer's, anaxia SEPRACOR INC. (US) 2009-11-10 US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 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 (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-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS DDO, DAO, SRR TDP1 2521/4885RAB9A 2111/4885GAA 2344/4885
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR TDP1 2521/4885RAB9A 2111/4885GAA 2344/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR TDP1 2521/4885RAB9A 2111/4885GAA 2344/4885

“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.