SCHEMBL3085976

SCHEMBL3085976

CC(C)N(C(=O)C(Cc1nnnn1C)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
DAGLA Q9Y4D2 1/20 0.34
HSD11B1 P28845 1/20 0.34
XBP1 P17861 1/20 0.32
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32
GAA P10253 1/20 0.32
GRM2 Q14416 1/20 0.32
HMGCR P04035 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR3 P51677 2/20 0.31
MC4R P32245 1/20 0.31
MC1R Q01726 1/20 0.31

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
SCHEMBL3093131 0.89 ALDH1A1 (0.39) ALDH1A1HPGDHSD11B1XBP1GAA
SCHEMBL3090654 0.88 SLC5A1 (0.34) ALDH1A1HPGDXBP1LMNACCR3
SCHEMBL3100123 0.85 HSD11B1 (0.50) ALDH1A1HSD11B1LMNATP53SMN1; SMN2
SCHEMBL3096046 0.82 KMT2A (0.36) HPGDXBP1CCKARCCKBRGAA
SCHEMBL3096052 0.82 KMT2A (0.36) HPGDXBP1CCKARCCKBRGAA
SCHEMBL3099597 0.79 ALDH1A1 (0.37) ALDH1A1HPGDGAALMNATP53
SCHEMBL3103725 0.76 HSD11B1 (0.45) ALDH1A1HSD11B1LMNATP53SMN1; SMN2
SCHEMBL3080043 0.74 GRIA4 (0.40) ALDH1A1DAGLA
SCHEMBL3092037 0.73 ALDH1A1 (0.40) ALDH1A1HPGDLMNATP53SMN1; SMN2
SCHEMBL3092787 0.73 KMT2A (0.35) ALDH1A1HPGDXBP1GAA

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 617/4885HPGD 1736/4885DAGLA 3303/4885

“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.