Sugi Predict

Sugi Predict / Compounds / SCHEMBL3085226

SCHEMBL3085226

SCHEMBL3085226

CCN(C(=O)C(Cc1cccc(OC)c1[N+](=O)[O-])C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 2/20 0.39
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ HTT P42858 2/20 0.38
▸ BMP1 P13497 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL3085230 1.00 SNCA (0.39) SNCATRPM8ALDH1A1HTTBMP1
SCHEMBL3089116 0.84 ALDH1A1 (0.42) SNCATRPM8ALDH1A1HTTPKM
SCHEMBL3092141 0.84 PKM (0.38) SNCATRPM8ALDH1A1HTTHPGD
SCHEMBL3089113 0.84 ALDH1A1 (0.42) SNCATRPM8ALDH1A1HTTPKM
SCHEMBL3092146 0.84 PKM (0.38) SNCATRPM8ALDH1A1HTTHPGD
SCHEMBL3078912 0.82 HPGD (0.41) SNCATRPM8ALDH1A1BMP1HPGD
SCHEMBL3083952 0.81 MAPT (0.44) TRPM8ALDH1A1HTTLMNAMMP1
SCHEMBL3083948 0.81 MAPT (0.44) TRPM8ALDH1A1HTTLMNAMMP1
SCHEMBL3090566 0.81 HTT (0.38) ALDH1A1HTTLMNAMEN1POLB
SCHEMBL3090563 0.81 HTT (0.38) ALDH1A1HTTLMNAMEN1POLB

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 SNCA 2328/4885TRPM8 135/4885ALDH1A1 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.