SCHEMBL3097145

SCHEMBL3097145

C=CCC(C(=O)NS(=O)(=O)C=Cc1ccccc1)C(=O)N(CCCCC)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
JAK2 O60674 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
GAA P10253 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
NR3C1 P04150 1/20 0.33
RRM1 P23921 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 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
SCHEMBL3096360 0.90 KMT2A (0.41) PKMKMT2AHTTGAAOPRM1
SCHEMBL3096349 0.90 KMT2A (0.41) PKMKMT2AHTTGAAOPRM1
SCHEMBL3086207 0.89 KMT2A (0.38) PKMKMT2AHTTNPC1JAK2
SCHEMBL3100452 0.88 PKM (0.39) PKMKMT2AHTTGAAOPRM1
SCHEMBL3100889 0.86 PKM (0.36) PKMKMT2AHTTNPC1JAK2
SCHEMBL3092390 0.84 KMT2A (0.41) PKMKMT2AHTTGAAOPRM1
SCHEMBL3092399 0.84 KMT2A (0.41) PKMKMT2AHTTGAAOPRM1
SCHEMBL3083728 0.83 HTT (0.41) KMT2AHTTGAARRM1TRPM8
SCHEMBL3083726 0.83 HTT (0.41) KMT2AHTTGAARRM1TRPM8
SCHEMBL3097154 0.83 KMT2A (0.39) PKMKMT2AHTTGAAOPRM1

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 PKM 1468/4885KMT2A 1948/4885HTT 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.