SCHEMBL1094489

SCHEMBL1094489

COc1cc(CC(N)C(=O)O)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
ALDH1A1 P00352 2/20 0.56
SLC7A5 Q01650 5/20 0.54
PTGS1 P23219 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
EGFR P00533 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALOX15 P16050 1/20 0.54
HTR2A P28223 1/20 0.54
PTGS2 P35354 1/20 0.54
RECQL P46063 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NR1I2 O75469 1/20 0.50
PPARG P37231 1/20 0.50
AGTR2 P50052 1/20 0.50

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
SCHEMBL1094491 1.00 LDHA (0.56) LDHAALDH1A1SLC7A5PTGS1KDM4E
SCHEMBL8009937 0.88 LDHA (0.73) LDHAALDH1A1SLC7A5PTGS1KDM4E
SCHEMBL159001 0.88 LDHA (0.73) LDHAALDH1A1SLC7A5PTGS1KDM4E
SCHEMBL30013904 0.88 LDHA (0.73) LDHAALDH1A1SLC7A5PTGS1KDM4E
SCHEMBL159000 0.88 LDHA (0.73) LDHAALDH1A1SLC7A5PTGS1KDM4E
SCHEMBL29637606 0.88 LDHA (0.73) LDHAALDH1A1SLC7A5PTGS1KDM4E
SCHEMBL31242504 0.88 LDHA (0.73) LDHAALDH1A1SLC7A5PTGS1KDM4E
Hydrochloric Acid SCHEMBL3207583 0.86 LDHA (0.71) LDHAALDH1A1SLC7A5PTGS1KDM4E
Hydrochloric Acid SCHEMBL10464213 0.86 LDHA (0.71) LDHAALDH1A1SLC7A5PTGS1KDM4E
SCHEMBL13957553 0.85 LDHA (0.56) LDHAALDH1A1SLC7A5PTGS1KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-03-07 US disclosed
US-9586988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-03-07 US disclosed
US-8865658-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-21 US disclosed
EP-1968635-B1 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX INC (US) 2014-09-17 EP disclosed
US-20140100357-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2014-04-10 US disclosed
US-8557781-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-10-15 US disclosed
US-8557781-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-10-15 US disclosed
US-8399614-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-03-19 US disclosed
US-8399614-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-03-19 US disclosed
US-20120315686-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2012-12-13 US disclosed
EP-1968635-A4 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2009-09-09 EP disclosed
US-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX, INC. (US) 2008-12-25 US disclosed
EP-1968635-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES Ambrx, Inc. (US) 2008-09-17 EP disclosed
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-08-14 US disclosed
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-08-14 US disclosed
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-08-07 US disclosed
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-08-07 US disclosed
US-20080118464-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-05-22 US disclosed
US-20080118464-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-05-22 US disclosed
WO-2007070659-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2007-06-21 WO 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 (6 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-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides PTMS, DNPEP, ANPEP LDHA 1595/4885ALDH1A1 4035/4885SLC7A5 244/4885
US-20080118464-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT LDHA 967/4885ALDH1A1 2037/4885SLC7A5 336/4885
US-20140100357-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DNPEP, ANPEP LDHA 1595/4885ALDH1A1 4035/4885SLC7A5 244/4885
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT LDHA 967/4885ALDH1A1 2037/4885SLC7A5 336/4885
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, ANPEP, PTMS LDHA 1028/4885ALDH1A1 3451/4885SLC7A5 193/4885
US-20120315686-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DNPEP, ANPEP LDHA 1595/4885ALDH1A1 4035/4885SLC7A5 244/4885

“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.