Sugi Predict

Sugi Predict / Compounds / SCHEMBL3092141

SCHEMBL3092141

SCHEMBL3092141

CCN(C(=O)C(Cc1ccc([N+](=O)[O-])c(OC)c1)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ SNCA P37840 2/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ MMP1 P03956 3/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL3092146 1.00 PKM (0.38) PKMTRPM8SNCAALDH1A1MMP1
SCHEMBL3089116 0.94 ALDH1A1 (0.42) PKMTRPM8SNCAALDH1A1SMN1; SMN2
SCHEMBL3089113 0.94 ALDH1A1 (0.42) PKMTRPM8SNCAALDH1A1SMN1; SMN2
SCHEMBL3090417 0.89 MMP1 (0.45) PKMALDH1A1MMP1HTTCYP3A4
SCHEMBL3090420 0.89 MMP1 (0.45) PKMALDH1A1MMP1HTTCYP3A4
SCHEMBL3096530 0.88 ALDH1A1 (0.40) PKMTRPM8ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3096541 0.88 ALDH1A1 (0.40) PKMTRPM8ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3083948 0.85 MAPT (0.44) TRPM8ALDH1A1MMP1SMN1; SMN2RAB9A
SCHEMBL3083952 0.85 MAPT (0.44) TRPM8ALDH1A1MMP1SMN1; SMN2RAB9A
SCHEMBL3085226 0.84 SNCA (0.39) PKMTRPM8SNCAALDH1A1MMP1

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 PKM 1468/4885TRPM8 135/4885SNCA 2328/4885

“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.