SCHEMBL3103604

SCHEMBL3103604

CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(CC(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
PKM P14618 1/20 0.37
AGTR2 P50052 1/20 0.36
JMJD7 P0C870 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15000104 0.86 ALDH1A1 (0.38) MAPTMMP8ALDH1A1KMT2AMEN1
SCHEMBL3103232 0.80 KMT2A (0.56) MAPTCRHBPCRHR2L3MBTL1MMP8
SCHEMBL3084958 0.79 FLT1 (0.52) MAPTCRHBPCRHR2L3MBTL1MMP8
SCHEMBL3100076 0.79 GAA (0.50) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL3085503 0.76 LARS1 (0.47) MAPTCRHBPCRHR2L3MBTL1MMP8
SCHEMBL3096614 0.75 MMP8 (0.48) MAPTCRHBPCRHR2L3MBTL1MMP8
SCHEMBL2672728 0.75 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1MMP8
SCHEMBL3088272 0.73 MMP8 (0.60) MMP8ALDH1A1GAAKDM4EKMT2A
SCHEMBL9001515 0.73 MAPT (0.54) MAPTCRHBPCRHR2L3MBTL1MMP8
SCHEMBL960875 0.71 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1MMP8

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 MAPT 2813/4885CRHBP 3136/4885CRHR2 947/4885

“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.