SCHEMBL3100686

SCHEMBL3100686

CCN(C(=O)C(CCCc1cccnc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.55
IDO1 P14902 1/20 0.47
LARS1 Q9P2J5 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
F10 P00742 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL3093756 0.89 LARS1 (0.46) TBXAS1LARS1LMNAHPGD
SCHEMBL3093369 0.86 LARS1 (0.44) TBXAS1LARS1LMNA
SCHEMBL3080463 0.85 LARS1 (0.43) TBXAS1LARS1LMNA
SCHEMBL3093531 0.85 ALDH1A1 (0.51) LARS1LMNASMN1; SMN2HTT
SCHEMBL3086168 0.84 AGTR2 (0.44) TBXAS1LARS1
SCHEMBL3100295 0.83 LARS1 (0.47) LARS1LMNA
SCHEMBL3090337 0.82 POLB (0.44) LARS1LMNASMN1; SMN2HTT
SCHEMBL3096909 0.82 LARS1 (0.41) TBXAS1IDO1LARS1LMNASMN1; SMN2
SCHEMBL3096898 0.82 LARS1 (0.41) TBXAS1IDO1LARS1LMNASMN1; SMN2
SCHEMBL3103912 0.82 LARS1 (0.46) IDO1LARS1LMNA

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 TBXAS1 537/4885IDO1 3312/4885LARS1 1976/4885

“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.