SCHEMBL3090790

SCHEMBL3090790

COc1ccc2ccc(S(=O)(=O)NC(=O)C(Cc3ccc([N+](=O)[O-])cc3)C(=O)O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 1/20 0.51
BCL2 P10415 4/20 0.47
PLAU P00749 1/20 0.45
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
LDHA P00338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 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
SCHEMBL14999968 0.89 RAPGEF3 (0.46) RAPGEF3BCL2PLAUKMT2AGAA
SCHEMBL3092469 0.89 GAA (0.54) BCL2KMT2AGAALDHAALDH1A1
SCHEMBL3089900 0.88 LARS1 (0.50) RAPGEF3BCL2KMT2AKDM4EALDH1A1
SCHEMBL3088714 0.84 KDM4E (0.58) RAPGEF3KMT2ALDHAKDM4EALDH1A1
SCHEMBL3092672 0.84 PPARG (0.50) RAPGEF3BCL2KMT2AKDM4EALDH1A1
SCHEMBL3085503 0.80 LARS1 (0.47) RAPGEF3BCL2KMT2AGAAALDH1A1
SCHEMBL3090058 0.79 LARS1 (0.48) RAPGEF3BCL2KMT2AKDM4EALDH1A1
SCHEMBL3100076 0.79 GAA (0.50) BCL2KMT2AGAAALDH1A1POLB
SCHEMBL3101091 0.79 ITGB3 (0.51) BCL2KMT2AITGB3
SCHEMBL3085318 0.78 LARS1 (0.50) RAPGEF3BCL2KMT2AF2

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 RAPGEF3 2094/4885BCL2 2437/4885PLAU 996/4885

“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.