SCHEMBL4548423

SCHEMBL4548423

CCCOC(=O)CC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL18291942 0.88 NAAA (0.47) HCAR2ACE2NAAADGKAALDH1A1
SCHEMBL20184174 0.86 NAAA (0.55) HCAR2ACE2NAAADGKAALDH1A1
SCHEMBL5728295 0.85 MAPT (0.38) HCAR2LMNANAAADGKAALDH1A1
SCHEMBL20398337 0.85 NAAA (0.58) HCAR2ACE2NAAADGKA
SCHEMBL20398329 0.85 NAAA (0.58) HCAR2ACE2NAAADGKA
SCHEMBL20398340 0.85 NAAA (0.58) HCAR2ACE2NAAADGKA
SCHEMBL11366021 0.83 MGAM (0.48) LMNAALDH1A1GABRR1CYP1A2MMP1
SCHEMBL6911104 0.83 MGAM (0.48) LMNAALDH1A1GABRR1CYP1A2MMP1
SCHEMBL4756170 0.83 MGAM (0.48) LMNAALDH1A1GABRR1CYP1A2MMP1
SCHEMBL12526876 0.82 CA1 (0.37) HCAR2NAAADGKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563290-A Method for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1996-10-08 US claimed
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
WO-2007002557-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-01-04 WO disclosed
US-5563290-A Method for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1996-10-08 US disclosed
EP-0663382-A1 Process for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1995-07-19 EP 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 (2 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885LMNA 851/4885ACE2 1609/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885LMNA 909/4885ACE2 1657/4885

“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.