SCHEMBL3101144

SCHEMBL3101144

CN(C(=O)c1ccccc1)c1ccc(CC2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
MAOA P21397 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9198230 0.79 NPSR1 (0.63) GLANPSR1KMT2AKDM4EALDH1A1
SCHEMBL7417047 0.78 GLA (0.66) GLANPSR1HTT
SCHEMBL9001651 0.73 KMT2A (0.69) EGFRERBB2NR1H2NR1H3KMT2A
SCHEMBL15014106 0.72 KMT2A (0.56) EGFRERBB2NR1H2NR1H3KMT2A
SCHEMBL14002785 0.72 GLA (0.58) GLANPSR1KMT2AKDM4EHTT
SCHEMBL27809084 0.71 EGFR (0.39) EGFRERBB2NR1H2NR1H3KMT2A
SCHEMBL7046909 0.71 KMT2A (0.54) EGFRERBB2NR1H2NR1H3KMT2A
SCHEMBL9193771 0.71 GLA (0.69) GLANPSR1KMT2AALDH1A1RAB9A
SCHEMBL13181080 0.70 ESR1 (0.55) EGFRERBB2NR1H2NR1H3KMT2A
SCHEMBL493114 0.70 KMT2A (0.75) EGFRERBB2NR1H2NR1H3KMT2A

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 GLA 1615/4885NPSR1 879/4885EGFR 346/4885

“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.