SCHEMBL3083509

SCHEMBL3083509

CC(C)N(C(=O)C(Cc1nnnn1-c1ccccc1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
KMT2A Q03164 4/20 0.35
PKM P14618 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR183 P32249 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
SCHEMBL3083504 1.00 HSD11B1 (0.40) HSD11B1KMT2APKMHTTALDH1A1
SCHEMBL3096046 0.90 KMT2A (0.36) KMT2APKMHTTPOLBHPGD
SCHEMBL3096052 0.90 KMT2A (0.36) KMT2APKMHTTPOLBHPGD
SCHEMBL3092777 0.89 KMT2A (0.35) KMT2APKMHTTALDH1A1POLB
SCHEMBL3092787 0.89 KMT2A (0.35) KMT2APKMHTTALDH1A1POLB
SCHEMBL3100123 0.84 HSD11B1 (0.50) HSD11B1KMT2APKMHTTALDH1A1
SCHEMBL3103817 0.84 KMT2A (0.42) KMT2APKMHTTALDH1A1MEN1
SCHEMBL3103813 0.84 KMT2A (0.42) KMT2APKMHTTALDH1A1MEN1
SCHEMBL3093403 0.81 KMT2A (0.43) KMT2APKMHTTALDH1A1MEN1
SCHEMBL3093391 0.81 KMT2A (0.43) KMT2APKMHTTALDH1A1MEN1

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 HSD11B1 413/4885KMT2A 1948/4885PKM 1468/4885

“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.