SCHEMBL3079647

SCHEMBL3079647

CCN(C(=O)C(CCc1ccc(OC)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LDHA P00338 1/20 0.48
CHRM1 P11229 5/20 0.47
CHRM3 P20309 5/20 0.47
CHRM5 P08912 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM4 P08173 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44
ALOX5 P09917 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL27787093 0.87 BCHE (0.53) ALOX5
SCHEMBL3079427 0.85 TSHR (0.46) ALDH1A1CHRM1CHRM3MEN1KMT2A
SCHEMBL3103221 0.82 CYP1A2 (0.45) ALDH1A1ALOX5GLATSHRNPC1
SCHEMBL3097317 0.81 GAA (0.45) ALDH1A1CHRM1CHRM3CHRM5MEN1
SCHEMBL3097328 0.81 GAA (0.45) ALDH1A1CHRM1CHRM3CHRM5MEN1
SCHEMBL3090585 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AGAA
SCHEMBL28126646 0.79 LDHA (0.68) ALDH1A1LDHAALOX5NPC1RAB9A
SCHEMBL27787119 0.78 CYP4F2 (0.49) ALOX5
SCHEMBL3089122 0.78 LDHA (0.43) ALDH1A1LDHACHRM1CHRM3CHRM5
SCHEMBL27809161 0.77 FDFT1 (0.42) ALDH1A1ALOX5

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 ALDH1A1 617/4885LDHA 723/4885CHRM1 2481/4885

“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.