SCHEMBL3079461

SCHEMBL3079461

CCN(C(=O)C(Cc1ccc(OC)c(OC)c1)C(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.64
TSHR P16473 2/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
MMP1 P03956 3/20 0.47
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
FPR2 P25090 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
APP P05067 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL3103235 0.86 ALDH1A1 (0.52) LDHATSHRPKMALOX15ALDH1A1
SCHEMBL3079152 0.86 LDHA (0.46) LDHATSHRPKMALOX15MMP1
SCHEMBL15000270 0.83 LDHA (0.73) LDHAPKMALOX15MMP1BCHE
SCHEMBL3090420 0.81 MMP1 (0.45) LDHATSHRPKMALOX15MMP1
SCHEMBL3097161 0.81 PDE4D (0.46) LDHAMMP1ALDH1A1
SCHEMBL3090417 0.81 MMP1 (0.45) LDHATSHRPKMALOX15MMP1
SCHEMBL490731 0.80 LDHA (1.00) LDHAPKMALOX15MMP1ALDH1A1
SCHEMBL3080460 0.79 TP53 (0.47) LDHATSHRALDH1A1GLA
SCHEMBL3097105 0.79 OXTR (0.44) LDHATSHRPKMALDH1A1GLA
SCHEMBL3091855 0.78 ALDH1A1 (0.49) TSHRCHRM5CHRM1CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 LDHA 723/4885TSHR 678/4885PKM 1468/4885

“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.