SCHEMBL3099913

SCHEMBL3099913

CCOC(=O)CC(=O)OCc1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ KMT2A Q03164 8/20 0.46
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ LMNA P02545 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL9344653 0.80 LMNA (0.57) SMN1; SMN2MAPTALDH1A1LMNAGAA
SCHEMBL14661914 0.80 ALDH1A1 (0.49) SMN1; SMN2HPGDPKMKMT2AMAPT
SCHEMBL13168945 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HPGDPKMKMT2AMAPT
SCHEMBL27808945 0.78 RAB9A (0.61) PKMKMT2AMAPTALDH1A1MEN1
SCHEMBL28762606 0.78 ALDH1A1 (0.53) SMN1; SMN2HPGDPKMKMT2AMAPT
SCHEMBL20045093 0.77 PDGFRB (0.53) SMN1; SMN2HPGDPKMKMT2AMAPT
SCHEMBL21652695 0.77 MGAM (0.62) PKMKMT2AMAPTALDH1A1MEN1
SCHEMBL14662012 0.76 ALDH1A1 (0.51) SMN1; SMN2HPGDPKMKMT2AMAPT
SCHEMBL3089284 0.76 SMN1; SMN2 (0.47) SMN1; SMN2HPGDPKMKMT2AMAPT
SCHEMBL26343365 0.75 TSHR (0.51) SMN1; SMN2HPGDPKMKMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 — — CN 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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 — — CN 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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