SCHEMBL3101147

SCHEMBL3101147

Cc1cc(CC2C(=O)OC(C)(C)OC2=O)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MDM2 Q00987 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
MCL1 Q07820 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL31607391 0.78 GLA (0.48) GLANPSR1ALDH1A1CYP1A2CYP2C9
SCHEMBL9904100 0.73 GLA (0.49) GLANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL3100458 0.71 NPSR1 (0.56) GLANPSR1ALDH1A1CYP1A2CYP2C19
SCHEMBL9193771 0.70 GLA (0.69) GLANPSR1ALDH1A1MDM2KMT2A
SCHEMBL7417047 0.68 GLA (0.66) GLANPSR1MDM2TSHR
SCHEMBL20608084 0.68 MDM2 (0.47) GLANPSR1ALDH1A1CYP1A2CYP2C9
SCHEMBL8247259 0.67 TSHR (0.46) GLANPSR1CYP1A2CYP2C19KMT2A
SCHEMBL15647719 0.66 GLA (0.67) GLANPSR1ALDH1A1MDM2KMT2A
SCHEMBL15647578 0.66 GLA (0.61) GLANPSR1
SCHEMBL11375536 0.66 ALDH1A1 (0.48) ALDH1A1TDP1CYP1A2KMT2AKDM4E

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 879/4885ALDH1A1 617/4885

“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.