SCHEMBL3103221

SCHEMBL3103221

CCN(C(=O)C(CCc1ccc2ccccc2c1)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SOX18 P35713 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
PDPK1 O15530 1/20 0.40
CYP2A6 P11509 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 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
SCHEMBL3100295 0.84 LARS1 (0.47) ALDH1A1
SCHEMBL3079647 0.82 ALDH1A1 (0.48) ALDH1A1GLATSHRALOX5NPC1
SCHEMBL3079427 0.82 TSHR (0.46) ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL3093099 0.81 CHRM2 (0.43) ALDH1A1GLATSHRPTGESNPC1
SCHEMBL3097215 0.81 POLB (0.37) CYP1A2ALDH1A1PPARG
SCHEMBL3097204 0.81 POLB (0.37) CYP1A2ALDH1A1PPARG
SCHEMBL27787119 0.80 CYP4F2 (0.49) PTGESALOX5MMEACECPA1
SCHEMBL3085033 0.80 ALDH1A1 (0.44) ALDH1A1GLATSHRMMEACE
SCHEMBL27787093 0.80 BCHE (0.53) PPARGPPARAALOX5BCHE
SCHEMBL3093756 0.78 LARS1 (0.46) CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN 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 CYP1A2 1772/4885ALDH1A1 617/4885GLA 1615/4885

“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.