SCHEMBL3096862

SCHEMBL3096862

CC(C)CC(C(=O)NS(=O)(=O)/C=C/c1ccc(F)cc1)C(=O)N(c1ccc(F)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
ANPEP P15144 1/20 0.33
ADAM17 P78536 1/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
APP P05067 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
CTSL P07711 1/20 0.32

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
SCHEMBL3096868 1.00 NOS3 (0.41) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL3093403 0.95 KMT2A (0.43) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL3093391 0.95 KMT2A (0.43) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL3090313 0.88 NAMPT (0.39)
SCHEMBL3090309 0.88 NAMPT (0.39)
SCHEMBL3092120 0.86 KMT2A (0.42) KMT2AMEN1PKMHTTTRPM8
SCHEMBL3079999 0.84 NLRP3 (0.40) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL3079996 0.84 NLRP3 (0.40) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL3103817 0.84 KMT2A (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL3095994 0.84 KMT2A (0.42) KMT2AMEN1PKMHTTLMNA

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 NOS3 2053/4885NOS1 2464/4885NOS2 2370/4885

“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.