SCHEMBL3088252

SCHEMBL3088252

CC(C)CC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(CCc1ccc(F)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
GPR183 P32249 1/20 0.39
HTT P42858 1/20 0.39
MMP2 P08253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADAM17 P78536 1/20 0.37
MEN1 O00255 1/20 0.37
MMP8 P22894 3/20 0.36
GAA P10253 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NAMPT P43490 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL3088256 1.00 POLB (0.42) POLBKMT2APKMGPR183HTT
SCHEMBL3088288 0.93 HTT (0.43) POLBHTTALDH1A1ADAM17MMP8
SCHEMBL3088286 0.93 HTT (0.43) POLBHTTALDH1A1ADAM17MMP8
SCHEMBL3100568 0.91 KMT2A (0.41) POLBKMT2APKMGPR183HTT
SCHEMBL3100574 0.91 KMT2A (0.41) POLBKMT2APKMGPR183HTT
SCHEMBL3085727 0.83 MEN1 (0.45) POLBKMT2AHTTMMP2ALDH1A1
SCHEMBL3085729 0.83 MEN1 (0.45) POLBKMT2AHTTMMP2ALDH1A1
SCHEMBL3093403 0.83 KMT2A (0.43) POLBKMT2APKMGPR183HTT
SCHEMBL3093391 0.83 KMT2A (0.43) POLBKMT2APKMGPR183HTT
SCHEMBL3100216 0.83 OPRM1 (0.41) POLBKMT2AHTTADAM17MEN1

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 POLB 4626/4885KMT2A 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.