SCHEMBL3085503

SCHEMBL3085503

CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.47
MMP8 P22894 1/20 0.46
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
F2 P00734 3/20 0.44
BCL2 P10415 1/20 0.44
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
RAPGEF3 O95398 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3092672 0.92 PPARG (0.50) LARS1KMT2AF2BCL2MAPT
SCHEMBL3093765 0.90 LARS1 (0.46) LARS1NOD2NOD1KMT2AGAA
SCHEMBL3093748 0.89 LARS1 (0.54) LARS1MMP8KMT2AGAAF2
SCHEMBL3091388 0.89 MMP8 (0.58) LARS1MMP8KMT2AGAAF2
SCHEMBL3089900 0.88 LARS1 (0.50) LARS1MMP8KMT2AF2BCL2
SCHEMBL3090058 0.87 LARS1 (0.48) LARS1KMT2AF2BCL2MAPT
SCHEMBL3100450 0.87 LARS1 (0.53) LARS1MMP8KMT2AGAAF2
SCHEMBL3097275 0.87 MMP8 (0.51) LARS1MMP8GAAF2BCL2
SCHEMBL3093170 0.87 ALDH1A1 (0.54) LARS1MMP8KMT2AGAAF2
SCHEMBL3103232 0.87 KMT2A (0.56) MMP8KMT2AGAAMAPTCRHBP

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 LARS1 1976/4885MMP8 3060/4885NOD2 3709/4885

“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.