SCHEMBL3080460

SCHEMBL3080460

CCN(C(=O)C(Cc1ccc(C(=O)OC)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 2/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
LDHA P00338 1/20 0.41

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
SCHEMBL15000195 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2TSHRGLA
SCHEMBL3092117 0.82 ALDH1A1 (0.49) TP53ALDH1A1HDAC1HDAC6TSHR
SCHEMBL3091855 0.82 ALDH1A1 (0.49) TP53ALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL3084787 0.81 PPARG (0.40) TP53ALDH1A1KDM4ESMN1; SMN2HDAC1
SCHEMBL3084789 0.81 PPARG (0.40) TP53ALDH1A1KDM4ESMN1; SMN2HDAC1
SCHEMBL3092629 0.80 POLB (0.55) ALDH1A1KDM4EKMT2A
SCHEMBL2692900 0.79 LDHA (0.62) TSHRMEN1KMT2ACA1CA2
SCHEMBL3079461 0.79 LDHA (0.64) ALDH1A1TSHRGLALDHA
SCHEMBL3086016 0.79 PPARA (0.54)
SCHEMBL3103823 0.78 ALDH1A1 (0.57) TP53ALDH1A1SMN1; SMN2TSHRGLA

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 7 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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN 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 TP53 3377/4885ALDH1A1 617/4885KDM4E 3644/4885

“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.