SCHEMBL3101037

SCHEMBL3101037

CCN(C(=O)C(CCc1cccc2ccccc12)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
HTT P42858 2/20 0.36
MMP9 P14780 1/20 0.35
NQO2 P16083 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NR1I2 O75469 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3101041 1.00 GAA (0.37) GAAHTTMMP9NQO2KMT2A
SCHEMBL3097204 0.87 POLB (0.37) GAAHTTMMP9CYP1A2CYP2C19
SCHEMBL3097215 0.87 POLB (0.37) GAAHTTMMP9CYP1A2CYP2C19
SCHEMBL3096338 0.85 POLB (0.40) GAAHTTMMP9SLC6A2CYP1A2
SCHEMBL3092948 0.85 GAA (0.38) GAAHTTCYP1A2CYP2C19MME
SCHEMBL3097822 0.84 POLB (0.42) GAAHTTCYP1A2TSHRCYP2C19
SCHEMBL3079178 0.84 POLB (0.40) GAAHTTKMT2ALMNACYP1A2
SCHEMBL3097810 0.84 POLB (0.42) GAAHTTCYP1A2TSHRCYP2C19
SCHEMBL3079172 0.84 POLB (0.40) GAAHTTKMT2ALMNACYP1A2
SCHEMBL3085592 0.84 HTT (0.36) GAAHTTCYP1A2CYP2C19KDM4E

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 GAA 272/4885HTT 2793/4885MMP9 1227/4885

“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.