SCHEMBL690466

SCHEMBL690466

NC1(S(=O)(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NT5E P21589 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5169910 0.97 TSHR (0.39) TSHRCYP2C19CA1CA2NT5E
SCHEMBL27525935 0.88
SCHEMBL11288936 0.73 TSHR (0.36) TSHRCYP2C19CA1CA2NPSR1
SCHEMBL14734230 0.71 CA1 (0.32) CA1NPSR1
SCHEMBL27772667 0.71 TSHR (0.35) TSHRCYP2C19CA1CA2
SCHEMBL27229156 0.69 TSHR (0.33) TSHRCYP2C19CA1
Sulfuric Acid SCHEMBL5465130 0.69 TSHR (0.39) TSHRCYP2C19CA1CA2NT5E
SCHEMBL25476022 0.67 NPSR1 (0.31) NPSR1
SCHEMBL20420692 0.67 NPSR1 (0.31) NPSR1
SCHEMBL11452245 0.67 GAA (0.36) TSHRCYP2C19NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167068-A2 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS Inserm-Institut National De La Sante Et De La Recherche Medicale (FR) 2010-03-31 EP claimed
WO-2009004082-A2 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2009-01-08 WO claimed
EP-2421523-A1 METHOD OF TREATING OR PREVENTING A CONVULSIVE DISORDER IN A PATIENT IN NEED THEREOF Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2012-02-29 EP disclosed
WO-2010121969-A1 METHOD OF TREATING OR PREVENTING A CONVULSIVE DISORDER IN A PATIENT IN NEED THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-10-28 WO disclosed
EP-2167068-A2 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS Inserm-Institut National De La Sante Et De La Recherche Medicale (FR) 2010-03-31 EP disclosed
WO-2009004082-A2 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2009-01-08 WO disclosed