SCHEMBL74287

SCHEMBL74287

CC(Cl)CC(=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31

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
SCHEMBL7247230 0.81 CYP2C19 (0.42) TDP1ALDH1A1LMNACYP2C19TSHR
SCHEMBL17733 0.79 ALDH1A1 (0.46) LDHASRRMAPTTDP1ALDH1A1
SCHEMBL6460798 0.78
SCHEMBL7521295 0.78
SCHEMBL158448 0.78
Malonic Acid SCHEMBL27964676 0.78 LDHA (0.64) LDHASRRMAPTTDP1ALDH1A1
SCHEMBL7781837 0.77 LDHA (0.40) LDHASRRMAPTTDP1ALDH1A1
SCHEMBL1259907 0.77 LDHA (0.40) LDHASRRMAPTTDP1ALDH1A1
SCHEMBL28073104 0.77 ALDH1A1 (0.43) LDHASRRMAPTTDP1ALDH1A1
SCHEMBL10512546 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114957-A2 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA Laboratories Limited (IN) 2009-11-11 EP claimed
US-20080188663-A1 Process for the preparation of crystalline clopidogrel hydrogen sulphate Form I IPCA LABORATORIES LIMITED (IN) 2008-08-07 US claimed
WO-2008093357-A2 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA LABORATORIES LIMITED (IN) 2008-08-07 WO claimed
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 US disclosed
WO-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO disclosed
US-7943634-B2 Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2011-05-17 US disclosed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US disclosed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP disclosed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO disclosed
US-6767394-B2 COMBINATION OF TRIAZINE LINKED AZO BENZENOID AND PYRIDONE DYES; BALANCED LIGHTFASTNESS, CHROMA AND SOLUBILITY; INK JET PRINTING AVECIA LIMITED (GB) 2004-07-27 US disclosed
US-20030136301-A1 Dye composition AVECIA LIMITED (GB) 2003-07-24 US disclosed
WO-2001066651-A1 DYE COMPOSITION AVECIA LIMITED (GB) 2001-09-13 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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A LDHA 4029/4885SRR 1543/4885MAPT 1092/4885
US-20080188663-A1 Process for the preparation of crystalline clopidogrel hydrogen sulphate Form I CYP2S1, CYP2F1, VKORC1L1 LDHA 3958/4885SRR 377/4885MAPT 4588/4885
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A LDHA 3971/4885SRR 1731/4885MAPT 1206/4885

“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.