SCHEMBL2167522

SCHEMBL2167522

C[C@H](CO)CCC(N)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.36
BHMT Q93088 1/20 0.32
BHMT2 Q9H2M3 1/20 0.32
PMP22 Q01453 1/20 0.31

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
SCHEMBL5738757 1.00 TSHR (0.41) TSHRTP53BHMTBHMT2PMP22
SCHEMBL5740180 0.75 ALDH1A1 (0.43) TP53
SCHEMBL27601201 0.75 ALDH1A1 (0.43) TP53
SCHEMBL5739636 0.75 ALDH1A1 (0.43) TP53
SCHEMBL22129549 0.74
SCHEMBL3628671 0.73
Sulfuric Acid SCHEMBL21552195 0.73 TSHR (0.44) TSHRTP53PMP22
SCHEMBL168774 0.72 TSHR (0.69) TSHR
SCHEMBL14113732 0.72 TSHR (0.69) TSHR
SCHEMBL28975468 0.72 TP53 (0.32) TP53PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726304-B2 2011-07-20 JP claimed
JP-2003517458-A 2003-05-27 JP claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP claimed
EP-1276483-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-01-22 EP claimed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO claimed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 WO claimed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed