SCHEMBL3103569

SCHEMBL3103569

CCN(C(=O)C(Cc1ccc(OC)nc1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
NAMPT P43490 1/20 0.36
KLKB1 P03952 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 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
SCHEMBL3103560 1.00 OXTR (0.39) OXTRTAS2R14NPC1RAB9ACTSL
SCHEMBL15000027 0.91 NPC1 (0.40) OXTRTAS2R14NPC1RAB9ACTSL
SCHEMBL15000025 0.91 NPC1 (0.40) OXTRTAS2R14NPC1RAB9ACTSL
SCHEMBL3092640 0.88 ALDH1A1 (0.46) POLBALDH1A1LMNATRPM8KMT2A
SCHEMBL3092630 0.88 ALDH1A1 (0.46) POLBALDH1A1LMNATRPM8KMT2A
SCHEMBL3100032 0.85 ALDH1A1 (0.43) POLBALDH1A1LMNATRPM8KMT2A
SCHEMBL3090420 0.84 MMP1 (0.45) ALDH1A1LMNAHTTPKM
SCHEMBL3090417 0.84 MMP1 (0.45) ALDH1A1LMNAHTTPKM
SCHEMBL3084787 0.84 PPARG (0.40) RAB9APOLBALDH1A1LMNATRPM8
SCHEMBL3084789 0.84 PPARG (0.40) RAB9APOLBALDH1A1LMNATRPM8

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 OXTR 1858/4885TAS2R14 1309/4885NPC1 3306/4885

“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.