SCHEMBL4031971

SCHEMBL4031971

CN(C)C(=O)Sc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.51
PPARD Q03181 6/20 0.44
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 3/20 0.40
NFKB1 P19838 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
GNAI1 P63096 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
PPARG P37231 4/20 0.39

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
SCHEMBL3232439 0.85 ALDH1A1 (0.47) CA2HPGDMAPTGAATSHR
SCHEMBL13742168 0.82 MAPT (0.41) KDM4EHPGDHSD17B10MAPTTSHR
SCHEMBL10892472 0.82 HPGD (0.40) CA2PPARDKDM4EHPGDHSD17B10
SCHEMBL6938558 0.81 L3MBTL1 (0.35) CA2HSD17B10MAPTGAATSHR
SCHEMBL6936444 0.80 MAPT (0.36) HPGDMAPTTSHRLMNAALDH1A1
SCHEMBL2162178 0.80 CA2 (0.59) CA2PPARDKDM4EHPGDHSD17B10
SCHEMBL11074404 0.75 PDE7A (0.46) CA2HPGDHSD17B10MAPTTSHR
SCHEMBL6137059 0.75 CXCL8 (0.35) ALDH1A1PTGS1
SCHEMBL6541372 0.74 CA2 (0.47) CA2KDM4EHPGDHSD17B10MAPT
SCHEMBL3483627 0.73 ALDH1A1 (0.40) PPARDKDM4EHPGDMAPTTDP1

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
EP-0106565-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-09-10 EP disclosed
EP-0106565-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-25 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 (1 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK CA2 1038/4885PPARD 754/4885KDM4E 570/4885

“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.