SCHEMBL3100595

SCHEMBL3100595

CCN(C(=O)C(Cc1cnn(Cc2ccc(F)cc2F)c1)C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.38
FSCN1 Q16658 1/20 0.37
ADORA2B P29275 1/20 0.36
PPARG P37231 2/20 0.36
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
JAK3 P52333 1/20 0.34
HDAC1 Q13547 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 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
SCHEMBL3100451 0.92 ALDH1A1 (0.39) KLKB1FSCN1ADORA2BPPARGSCD
SCHEMBL3103633 0.88 LMNA (0.46) LMNAALDH1A1HTTMAPTGLA
SCHEMBL3096743 0.85 FSCN1 (0.33) KLKB1FSCN1ADORA2BPPARGSCD
SCHEMBL3096738 0.85 FSCN1 (0.33) KLKB1FSCN1ADORA2BPPARGSCD
SCHEMBL3097169 0.84 ALDH1A1 (0.40) SCDSCD5ALDH1A1HTTMAPT
SCHEMBL3469641 0.84 KLKB1 (0.44) KLKB1FSCN1ADORA2BSCDSCD5
SCHEMBL3085097 0.83 TP53 (0.43) KLKB1ADORA2BPPARGSCD5LMNA
SCHEMBL3093117 0.82 ALDH1A1 (0.42) LMNAALDH1A1HTTMAPTPKM
SCHEMBL3092856 0.80 LMNA (0.43) LMNAALDH1A1HTTMAPTL3MBTL1
SCHEMBL3084672 0.80 ALDH1A1 (0.40) LMNAALDH1A1

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 KLKB1 1369/4885FSCN1 4872/4885ADORA2B 2015/4885

“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.