SCHEMBL3097169

SCHEMBL3097169

CCN(C(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
ACACB O00763 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
SCD O00767 4/20 0.40
SCD5 Q86SK9 4/20 0.40
TP53 P04637 1/20 0.40
CREBBP Q92793 2/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
ITK Q08881 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3103633 0.93 LMNA (0.46) ALDH1A1GLATSHRACACBHTT
SCHEMBL3093117 0.91 ALDH1A1 (0.42) ALDH1A1GLATSHRHTTTP53
SCHEMBL3096293 0.91 NPY1R (0.43) ALDH1A1GLATSHRACACBL3MBTL1
SCHEMBL3097702 0.90 GAA (0.41) ALDH1A1GLATSHRACACBHTT
SCHEMBL3085097 0.90 TP53 (0.43) ALDH1A1GLATSHRHTTSCD5
SCHEMBL3080075 0.89 SCD (0.40) ALDH1A1ACACBL3MBTL1SCDSCD5
SCHEMBL3090818 0.87 L3MBTL1 (0.43) ALDH1A1ACACBL3MBTL1HTTSCD
SCHEMBL3092696 0.87 TRPM8 (0.44) ALDH1A1HTTMAPTNPSR1
SCHEMBL3091308 0.85 ALDH1A1 (0.43) ALDH1A1GLATSHRL3MBTL1HTT
SCHEMBL3097622 0.84 L3MBTL1 (0.43) ALDH1A1TSHRACACBL3MBTL1SCD

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 6 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
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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 617/4885GLA 1615/4885TSHR 678/4885

“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.