SCHEMBL3096052

SCHEMBL3096052

CC(C)N(C(=O)C(Cc1nnnn1C)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.33
SCN9A Q15858 1/20 0.33
GAA P10253 2/20 0.32
RECQL P46063 1/20 0.32
XBP1 P17861 1/20 0.32
GPR183 P32249 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31
TARS1 P26639 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
SCHEMBL3096046 1.00 KMT2A (0.36) KMT2APKMHTTPOLBSCN9A
SCHEMBL3092777 0.92 KMT2A (0.35) KMT2APKMHTTPOLBSCN9A
SCHEMBL3092787 0.92 KMT2A (0.35) KMT2APKMHTTPOLBSCN9A
SCHEMBL3083509 0.90 HSD11B1 (0.40) KMT2APKMHTTPOLBGPR183
SCHEMBL3083504 0.90 HSD11B1 (0.40) KMT2APKMHTTPOLBGPR183
SCHEMBL3103813 0.85 KMT2A (0.42) KMT2APKMHTTPOLBGAA
SCHEMBL3103817 0.85 KMT2A (0.42) KMT2APKMHTTPOLBGAA
SCHEMBL3093391 0.82 KMT2A (0.43) KMT2APKMHTTPOLBSCN9A
SCHEMBL3093403 0.82 KMT2A (0.43) KMT2APKMHTTPOLBSCN9A
SCHEMBL3085976 0.82 ALDH1A1 (0.36) GAAXBP1HPGDCCKARCCKBR

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 KMT2A 1948/4885PKM 1468/4885HTT 2793/4885

“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.