SCHEMBL3089284

SCHEMBL3089284

CCOC(=O)C(Cc1ccc(C)c([N+](=O)[O-])c1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ KMT2A Q03164 8/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ TSHR P16473 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ THRB P10828 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ HTT P42858 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL13153017 0.76 ALDH1A1 (0.56) SMN1; SMN2HPGDKMT2AMEN1TSHR
SCHEMBL13168945 0.76 SMN1; SMN2 (0.57) SMN1; SMN2HPGDPKMKMT2AMEN1
SCHEMBL3099913 0.76 SMN1; SMN2 (0.50) SMN1; SMN2HPGDPKMKMT2AMEN1
SCHEMBL28009348 0.75 ALDH1A1 (0.48) SMN1; SMN2HPGDKMT2AMEN1TSHR
SCHEMBL12708376 0.75 ALDH1A1 (0.53) SMN1; SMN2HPGDPKMKMT2AMEN1
SCHEMBL8295810 0.74 ALDH1A1 (0.56) SMN1; SMN2HPGDPKMKMT2AMEN1
SCHEMBL14661914 0.74 ALDH1A1 (0.49) SMN1; SMN2HPGDPKMKMT2AMEN1
SCHEMBL30951737 0.74 MAPT (0.42) PKMALDH1A1THRBMAPTHTT
SCHEMBL27348265 0.74 MAPT (0.42) PKMALDH1A1THRBMAPTHTT
SCHEMBL715634 0.73 ALDH1A1 (0.57) SMN1; SMN2HPGDKMT2AMEN1TSHR

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 SMN1; SMN2 2844/4885HPGD 1736/4885PKM 1468/4885

“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.

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