SCHEMBL3097423

SCHEMBL3097423

CC1(C)OC(=O)C(Cc2cccc(OCc3ccccc3)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAOB P27338 7/20 0.48
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
BCHE P06276 2/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
FFAR1 O14842 1/20 0.45
MAOA P21397 2/20 0.45
NR4A2 P43354 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
GRM5 P41594 1/20 0.44
HIF1A Q16665 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44

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
SCHEMBL3103917 0.87 GLA (0.66) GLANPSR1MAOBFAAHMGLL
SCHEMBL1486473 0.82 FFAR1 (0.46) MAOBFAAHMGLLBCHEFFAR1
SCHEMBL8958986 0.81 GLA (0.57) GLANPSR1MAOB
SCHEMBL7417047 0.80 GLA (0.66) GLANPSR1
SCHEMBL1495218 0.77 SIRT2 (0.52) MAOBBCHECYP4F2CYP4A11FFAR1
SCHEMBL30019771 0.77 SIRT2 (0.52) MAOBBCHECYP4F2CYP4A11FFAR1
SCHEMBL2496071 0.76 MAOB (0.42) MAOBFAAHMGLLBCHEMAOA
SCHEMBL17780993 0.76 MAOB (0.42) MAOBFAAHMGLLMAOANR4A2
SCHEMBL311212 0.76 MAOB (0.42) MAOBFAAHMGLLMAOANR4A2
SCHEMBL15648921 0.75 GLA (0.52) GLANPSR1MAOB

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 879/4885MAOB 3876/4885

“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.