SCHEMBL1988910

SCHEMBL1988910

CC(Nc1ccc(S(=O)(=O)O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.47
CA1 P00915 9/20 0.47
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
CA14 Q9ULX7 3/20 0.46
ADAMTS4 O75173 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
SNCA P37840 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
TIMP3 P35625 1/20 0.41

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
SCHEMBL1988912 1.00 CA2 (0.47) CA2CA1CA12CA9CA14
SCHEMBL31020737 0.86 ALDH1A1 (0.55) CA2CA1CA12CA9CA14
SCHEMBL30644158 0.81 PKM (0.57) CA2CA1CA12CA9CA14
SCHEMBL8761539 0.81 TDP1 (0.46) CA2CA1CA12CA9ALDH1A1
SCHEMBL18880246 0.79 LMNA (0.45) CA2CA1CA12CA9CA14
SCHEMBL11565258 0.79 CA12 (0.47) CA2CA1CA12CA9ADAMTS4
SCHEMBL2584998 0.79 TDP1 (0.54) CA12CA9ADAMTS4ALDH1A1TSHR
SCHEMBL27999251 0.79 KEAP1 (0.52) CA2CA1CA12CA9ALDH1A1
SCHEMBL3078749 0.77 CA12 (0.50) CA1CA12ALDH1A1SMN1; SMN2
SCHEMBL7028109 0.77 CA12 (0.47) CA2CA1CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788149-A1 A METHOD FOR OPTIMIZING ANTIBODY EXPRESSION Ambrx, Inc. (US) 2021-03-10 EP claimed
EP-2337846-B1 NON-NATURAL AMINO ACID REPLICATION-DEPENDENT MICROORGANISMS AND VACCINES AMBRX INC (US) 2018-01-17 EP claimed
EP-2337846-A1 NON-NATURAL AMINO ACID REPLICATION-DEPENDENT MICROORGANISMS AND VACCINES Ambrx, Inc. (US) 2011-06-29 EP disclosed
WO-2010037062-A1 NON-NATURAL AMINO ACID REPLICATION-DEPENDENT MICROORGANISMS AND VACCINES AMBRX, INC. (US) 2010-04-01 WO disclosed