SCHEMBL3090099

SCHEMBL3090099

C=CCC(C(=O)NS(=O)(=O)C=Cc1ccccc1)C(=O)N(CC)c1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
KMT2A Q03164 5/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 3/20 0.35
TARS1 P26639 4/20 0.35
RRM1 P23921 1/20 0.34
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3090094 1.00 HTT (0.37) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3096559 0.89 KMT2A (0.36) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3096569 0.89 KMT2A (0.36) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3096360 0.88 KMT2A (0.41) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3096349 0.88 KMT2A (0.41) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3097451 0.88 HTT (0.38) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3097459 0.88 HTT (0.38) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3103322 0.87 KMT2A (0.36) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3103330 0.87 KMT2A (0.36) HTTKMT2AOPRM1OPRL1PKM
SCHEMBL3083726 0.86 HTT (0.41) HTTKMT2AGAATARS1RRM1

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 HTT 2793/4885KMT2A 1948/4885OPRM1 2431/4885

“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.