SCHEMBL3090741

SCHEMBL3090741

O=C(NS(=O)(=O)c1ccc2ccccc2c1)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
F2 P00734 4/20 0.48
MAPT P10636 3/20 0.46
MGLL Q99685 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42
LARS1 Q9P2J5 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
SCHEMBL3095973 0.89 F2 (0.48) F2MGLLPKMLARS1
SCHEMBL3092893 0.88 MMP8 (0.53) MMP8F2MAPTPOLBKMT2A
SCHEMBL3084893 0.84 NPBWR1 (0.45) F2MAPTMGLLPOLBKMT2A
SCHEMBL3096410 0.84 MMP8 (0.51) MMP8F2MAPTKMT2AMEN1
SCHEMBL3089900 0.84 LARS1 (0.50) MMP8F2MAPTPOLBKMT2A
SCHEMBL3100781 0.82 F2 (0.43) F2MGLLLARS1
SCHEMBL3092672 0.80 PPARG (0.50) F2MAPTMGLLPOLBKMT2A
SCHEMBL3090058 0.79 LARS1 (0.48) F2MAPTMGLLPOLBKMT2A
SCHEMBL3085046 0.79 MMP8 (0.48) MMP8F2MAPTPOLBKMT2A
SCHEMBL3085503 0.79 LARS1 (0.47) MMP8F2MAPTPOLBKMT2A

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 MMP8 3060/4885F2 4128/4885MAPT 2813/4885

“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.