SCHEMBL3090750

SCHEMBL3090750

CCN(CC)C(=O)C(Cc1ccc(NC(=O)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.45
F2 P00734 5/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
NLRP3 Q96P20 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL3090331 0.90 LARS1 (0.47) LARS1F2ALDH1A1MAPTLMNA
SCHEMBL14999932 0.90 LARS1 (0.47) LARS1F2ALDH1A1NLRP3LMNA
SCHEMBL3090735 0.89 F2 (0.48) LARS1F2MAPTNLRP3KDM4E
SCHEMBL14999923 0.89 MAPT (0.46) LARS1F2MAPTNLRP3LMNA
SCHEMBL13151776 0.88 LARS1 (0.48) LARS1F2ALDH1A1LMNAGAA
SCHEMBL18387952 0.88 LARS1 (0.48) LARS1F2ALDH1A1LMNAGAA
SCHEMBL3093901 0.87 MMP9 (0.46) LARS1F2ALDH1A1LMNA
SCHEMBL3102970 0.87 MMP9 (0.46) LARS1F2ALDH1A1LMNA
SCHEMBL14999933 0.87 LARS1 (0.47) LARS1F2ALDH1A1LMNAGAA
SCHEMBL3096834 0.86 LARS1 (0.44) LARS1F2ALDH1A1NLRP3LMNA

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 4128/4885ALDH1A1 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.