SCHEMBL3096834

SCHEMBL3096834

C#CC(=O)Nc1ccc(CC(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC)CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.44
F2 P00734 8/20 0.42
NLRP3 Q96P20 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
CNR2 P34972 1/20 0.37
CA2 P00918 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL3097017 0.90 LARS1 (0.43) LARS1F2NLRP3ALDH1A1LMNA
SCHEMBL3090331 0.89 LARS1 (0.47) LARS1F2ALDH1A1LMNAGAA
SCHEMBL14999932 0.89 LARS1 (0.47) LARS1F2NLRP3ALDH1A1LMNA
SCHEMBL3090735 0.88 F2 (0.48) LARS1F2NLRP3F10PLG
SCHEMBL14999923 0.88 MAPT (0.46) LARS1F2NLRP3LMNACNR2
SCHEMBL18387952 0.87 LARS1 (0.48) LARS1F2ALDH1A1LMNAGAA
SCHEMBL13151776 0.87 LARS1 (0.48) LARS1F2ALDH1A1LMNAGAA
SCHEMBL3086225 0.87 F2 (0.44) LARS1F2F10PLGPLAT
SCHEMBL3093901 0.86 MMP9 (0.46) LARS1F2ALDH1A1LMNAPLG
SCHEMBL3102970 0.86 MMP9 (0.46) LARS1F2ALDH1A1LMNAPLG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LARS1 1976/4885F2 4128/4885NLRP3 1883/4885

“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.