SCHEMBL3100568

SCHEMBL3100568

CC(C)CC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(Cc1ccc(F)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
ADAM17 P78536 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
NR1H4 Q96RI1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR183 P32249 1/20 0.37
GAA P10253 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL3100574 1.00 KMT2A (0.41) KMT2APKMHTTADAM17POLB
SCHEMBL3085727 0.93 MEN1 (0.45) KMT2AHTTADAM17POLBMEN1
SCHEMBL3085729 0.93 MEN1 (0.45) KMT2AHTTADAM17POLBMEN1
SCHEMBL3088256 0.91 POLB (0.42) KMT2APKMHTTADAM17POLB
SCHEMBL3088252 0.91 POLB (0.42) KMT2APKMHTTADAM17POLB
SCHEMBL3100223 0.90 OPRM1 (0.41) KMT2AHTTADAM17POLBMEN1
SCHEMBL3100216 0.90 OPRM1 (0.41) KMT2AHTTADAM17POLBMEN1
SCHEMBL3093403 0.84 KMT2A (0.43) KMT2APKMHTTADAM17POLB
SCHEMBL3093391 0.84 KMT2A (0.43) KMT2APKMHTTADAM17POLB
SCHEMBL3093161 0.83 KMT2A (0.42) KMT2APKMHTTADAM17POLB

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.