SCHEMBL3100451

SCHEMBL3100451

CCOC(=O)C(Cc1cnn(Cc2ccc(F)cc2F)c1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KLKB1 P03952 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
FSCN1 Q16658 1/20 0.34
ADORA2B P29275 1/20 0.34
MMP8 P22894 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL3100595 0.92 KLKB1 (0.38) ALDH1A1KLKB1FSCN1ADORA2BPPARG
SCHEMBL3092856 0.89 LMNA (0.43) ALDH1A1NPY1RNPY2RMMP8KMT2A
SCHEMBL3096293 0.86 NPY1R (0.43) ALDH1A1NPY1RNPY2RMMP8KMT2A
SCHEMBL3093281 0.84 ALDH1A1 (0.41) ALDH1A1KLKB1NPY1RNPY2RMMP8
SCHEMBL3097597 0.84 KMT2A (0.43) ALDH1A1NPY1RNPY2RMMP8KMT2A
SCHEMBL3080395 0.81 ALDH1A1 (0.38) ALDH1A1TDP1NPY1RNPY2RMMP8
SCHEMBL3096743 0.81 FSCN1 (0.33) KLKB1FSCN1ADORA2BPPARGSCD
SCHEMBL3096738 0.81 FSCN1 (0.33) KLKB1FSCN1ADORA2BPPARGSCD
SCHEMBL3089093 0.81 ALDH1A1 (0.40) ALDH1A1NPY1RNPY2RMMP8KMT2A
SCHEMBL3087842 0.80 ALDH1A1 (0.42) ALDH1A1KLKB1NPY1RNPY2RADORA2B

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 6 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
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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 617/4885KLKB1 1369/4885TDP1 4770/4885

“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.