SCHEMBL3100969

SCHEMBL3100969

CCOC(=O)C(Cc1nnnn1-c1ccccc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HSD11B1 P28845 4/20 0.48
APP P05067 1/20 0.47
PKM P14618 2/20 0.47
HTT P42858 1/20 0.47
NLRP3 Q96P20 1/20 0.47
MAPT P10636 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
PDE4D Q08499 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3079086 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL5592634 0.78 HSD11B1 (0.62) ALDH1A1TP53ALOX12SMN1; SMN2HSD11B1
SCHEMBL27808946 0.77 PKM (0.53) ALDH1A1TP53ALOX12SMN1; SMN2HSD11B1
SCHEMBL3093383 0.76 MAPK1 (0.46) ALDH1A1TP53SMN1; SMN2APPLMNA
SCHEMBL3088954 0.76 MAPK1 (0.40) ALDH1A1APPPKMMAPTKMT2A
SCHEMBL4404105 0.74 HTT (0.55) ALDH1A1SMN1; SMN2HSD11B1PKMHTT
SCHEMBL8162436 0.74 TP53 (0.62) ALDH1A1TP53ALOX12SMN1; SMN2HTT
SCHEMBL10727802 0.74 ALDH1A1 (0.48) ALDH1A1TP53ALOX12SMN1; SMN2HSD11B1
SCHEMBL10676601 0.73 ALDH1A1 (0.47) ALDH1A1TP53ALOX12SMN1; SMN2HSD11B1
SCHEMBL156901 0.72 HTT (0.60) ALDH1A1SMN1; SMN2HSD11B1PKMHTT

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 ALDH1A1 617/4885TP53 3377/4885ALOX12 1186/4885

“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.