SCHEMBL4351626

SCHEMBL4351626

CC(=O)CNS(=O)(=O)c1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.51
PTGS1 P23219 3/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
MEP1B Q16820 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TPH1 P17752 1/20 0.44
GRB2 P62993 1/20 0.44

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
SCHEMBL5608193 0.82 LMNA (0.62) ALDH1A1GAASMN1; SMN2NPC1HPGD
SCHEMBL27734537 0.81 CA9 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL27734539 0.81 CA9 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL27754918 0.80 KEAP1 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5607840 0.80 KEAP1 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5607879 0.80 ALDH1A1 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL27755098 0.80 ALDH1A1 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL8232101 0.79 TSHR (0.67) ALDH1A1SMN1; SMN2HPGDCA2TPH1
SCHEMBL5079182 0.79 MMP2 (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL19899916 0.79 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP

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
WO-2011028195-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2011-03-10 WO disclosed
EP-1828224-A4 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2009-02-25 EP disclosed
WO-2008077079-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2008-06-26 WO disclosed
EP-1828224-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES Ambrx, Inc. (US) 2007-09-05 EP disclosed
WO-2006069246-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2006-06-29 WO disclosed