SCHEMBL3103540

SCHEMBL3103540

COc1cc(CC2C(=O)OC(C)(C)OC2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TTR P02766 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CHEK1 O14757 5/20 0.39
SIRT6 Q8N6T7 1/20 0.38
MAPT P10636 1/20 0.38
SHBG P04278 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3100458 0.90 NPSR1 (0.56) GLANPSR1TTRLMNAALDH1A1
SCHEMBL3092054 0.83 GLA (0.67) GLANPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9904100 0.80 GLA (0.49) GLANPSR1ALDH1A1
SCHEMBL30595402 0.80 GLA (0.62) GLANPSR1TTRLMNAALDH1A1
SCHEMBL9192513 0.80 GLA (0.62) GLANPSR1TTRLMNAALDH1A1
SCHEMBL30595403 0.80 GLA (0.62) GLANPSR1TTRLMNAALDH1A1
SCHEMBL30595404 0.80 GLA (0.62) GLANPSR1TTRLMNAALDH1A1
SCHEMBL9201096 0.79 GLA (0.60) GLANPSR1
SCHEMBL3091631 0.77 GLA (0.61) GLANPSR1LMNAALDH1A1
SCHEMBL3093562 0.74 GLA (0.48) GLANPSR1ALDH1A1TDP1MAPT

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 GLA 1615/4885NPSR1 879/4885TTR 1230/4885

“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.