SCHEMBL3080438

SCHEMBL3080438

COc1ccc(CCC2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.73
GLA P06280 1/20 0.73
DAO P14920 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
F2RL1 P55085 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CALM1 P0DP23 1/20 0.39
MAOB P27338 1/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL15569868 0.84 NPSR1 (1.00) NPSR1GLASMN1; SMN2GSK3AGSK3B
SCHEMBL3097535 0.81 GLA (0.48) NPSR1GLASMN1; SMN2TAAR1KDM4E
SCHEMBL8247259 0.78 TSHR (0.46) NPSR1GLAKMT2A
SCHEMBL3945233 0.77 GLA (0.62) NPSR1GLASMN1; SMN2F2RL1KDM4E
SCHEMBL3092797 0.77 GLA (0.47) NPSR1GLA
SCHEMBL19806741 0.75 DAO (0.50) NPSR1GLADAOSMN1; SMN2TAAR1
SCHEMBL3713259 0.73 GLA (0.60) NPSR1GLAKDM4EKMT2A
SCHEMBL10296117 0.72 PLA2G6 (0.44) NPSR1GLATAAR1
SCHEMBL3092334 0.71 TAAR1 (0.43) NPSR1GLATAAR1MAOB
SCHEMBL15569546 0.70 NPSR1 (0.56) NPSR1GLASMN1; SMN2GSK3AGSK3B

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 NPSR1 879/4885GLA 1615/4885DAO 1510/4885

“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.