Sugi Predict

Sugi Predict / Compounds / SCHEMBL3101112

SCHEMBL3101112

SCHEMBL3101112

O=C(NC(c1ccccc1)c1ccccc1)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 2/20 0.45
▸ LARS1 Q9P2J5 1/20 0.44
▸ F2 P00734 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ PPARA Q07869 1/20 0.41
▸ RAPGEF3 O95398 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MMP1 P03956 3/20 0.40
▸ MMP2 P08253 3/20 0.40
▸ MMP9 P14780 3/20 0.40
▸ MMP8 P22894 3/20 0.40
▸ MMP13 P45452 3/20 0.40
▸ CA2 P00918 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 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
SCHEMBL3089900 0.89 LARS1 (0.50) BCL2LARS1F2KMT2AMEN1
SCHEMBL3088713 0.87 LARS1 (0.49) BCL2LARS1F2KMT2AMEN1
SCHEMBL3218767 0.85 KDM4E (0.52) BCL2LARS1KMT2APPARARAPGEF3
SCHEMBL3090058 0.84 LARS1 (0.48) BCL2LARS1F2KMT2AMEN1
SCHEMBL3092672 0.83 PPARG (0.50) BCL2LARS1F2KMT2AMEN1
SCHEMBL3085503 0.82 LARS1 (0.47) BCL2LARS1F2KMT2ARAPGEF3
SCHEMBL3085318 0.82 LARS1 (0.50) BCL2LARS1F2KMT2AMEN1
SCHEMBL3091686 0.81 LARS1 (0.48) BCL2LARS1F2KMT2AMEN1
SCHEMBL14999938 0.81 LARS1 (0.47) BCL2LARS1F2KMT2AMEN1
SCHEMBL3085970 0.81 LARS1 (0.47) BCL2LARS1F2KMT2AMEN1

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 BCL2 2437/4885LARS1 1976/4885F2 4128/4885

“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.