SCHEMBL3084867

SCHEMBL3084867

CCOC(=O)c1ccc(N(CC)C(=O)C(Cc2cnn(Cc3ccccc3)c2)C(=O)NS(=O)(=O)C=Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
RRM1 P23921 1/20 0.35
TP53 P04637 3/20 0.34
F2RL3 Q96RI0 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP8 P22894 1/20 0.33
MAPT P10636 2/20 0.32
MITF O75030 1/20 0.32
TLR9 Q9NR96 1/20 0.32
KMT2A Q03164 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
SCHEMBL3084865 1.00 PPARG (0.42) PPARGRRM1TP53F2RL3NPC1
SCHEMBL3093217 0.92 ALDH1A1 (0.38) PPARGRRM1TP53ALDH1A1LMNA
SCHEMBL3093208 0.92 ALDH1A1 (0.38) PPARGRRM1TP53ALDH1A1LMNA
SCHEMBL3088724 0.92 KMT2A (0.37) RRM1ALDH1A1LMNAPOLBMAPT
SCHEMBL3088725 0.92 KMT2A (0.37) RRM1ALDH1A1LMNAPOLBMAPT
SCHEMBL3092554 0.91 HDAC2 (0.35) ALDH1A1LMNAPOLB
SCHEMBL3092559 0.91 HDAC2 (0.35) ALDH1A1LMNAPOLB
SCHEMBL3093156 0.89 ACACB (0.33) ALDH1A1LMNAPOLBMAPT
SCHEMBL3093150 0.89 ACACB (0.33) ALDH1A1LMNAPOLBMAPT
SCHEMBL3078960 0.89 LMNA (0.39) ALDH1A1LMNASMN1; SMN2MAPK1MAPT

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 PPARG 136/4885RRM1 1961/4885TP53 3377/4885

“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.