SCHEMBL12435518

SCHEMBL12435518

C=C(NCCCCC(N)C(=O)O)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
OTC P00480 1/20 0.46
NOS2 P35228 5/20 0.46
NOS1 P29475 4/20 0.46
NOS3 P29474 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.45
NOD1 Q9Y239 2/20 0.44
DPP7 Q9UHL4 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
DDAH1 O94760 1/20 0.43
ARG2 P78540 4/20 0.43
ARG1 P05089 3/20 0.43

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
SCHEMBL11924513 0.90 NOS2 (0.50) GSROTCNOS2NOS1NOS3
SCHEMBL686695 0.85 GSR (0.48) GSROTCNOS2NOS1NOS3
SCHEMBL6579587 0.85 GSR (0.48) GSROTCNOS2NOS1NOS3
SCHEMBL10063628 0.85 GSR (0.48) GSROTCNOS2NOS1NOS3
SCHEMBL826656 0.84 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL15631779 0.84 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL19405258 0.83 NOS2 (0.49) GSROTCNOS2NOS1NOS3
Ethylene SCHEMBL28796155 0.83 KDM4E (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL236178 0.82 KDM4E (0.56) GSROTCNOS2NOS1NOS3
SCHEMBL919222 0.82 KDM4E (0.56) GSROTCNOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9962450-B2 Method of treating heart failure with modified relaxin polypeptides AMBRX, INC. (US) 2018-05-08 US disclosed
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
US-20170035897-A1 Modified Relaxin Polypeptides and Their Uses AMBRX, INC. 2017-02-09 US disclosed
US-9452222-B2 Nucleic acids encoding modified relaxin polypeptides AMBRX, INC. (US) 2016-09-27 US disclosed
US-20150299288-A1 Modified Insulin Polypeptides and Their Uses AMBRX, INC. (US) 2015-10-22 US disclosed
US-9079971-B2 Modified FGF-21 polypeptides comprising non-naturally occurring amino acids AMBRX, INC. (US) 2015-07-14 US disclosed
US-20150152190-A1 Prostate-Specific Membrane Antigen Antibody Drug Conjugates AMBRX, INC. (US) 2015-06-04 US disclosed
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2015-04-02 US disclosed
US-20140296487-A1 Modified Human Plasma Polypeptide or Fc Scaffolds and Their Uses AMBRX, INC. (US) 2014-10-02 US disclosed
US-20140194357-A1 Modified Relaxin Polypeptides and Their Uses AMBRX, INC. (US) 2014-07-10 US disclosed
US-20130150564-A1 Modified FGF-21 Polypeptides and Their Uses AMBRX, INC. (US) 2013-06-13 US disclosed
US-8367612-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-02-05 US disclosed
US-20120283172-A1 MODIFIED PORCINE SOMATOTROPIN POLYPEPTIDES AND THEIR USES AMBRX, INC. (US) 2012-11-08 US disclosed
US-20110178029-A1 Modified Human Apolipoprotein A-1 and Their Uses AMBRX, INC. (US) 2011-07-21 US disclosed
US-7928163-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2011-04-19 US disclosed
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-06-26 US 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 (10 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-20110178029-A1 Modified Human Apolipoprotein A-1 and Their Uses APOB, APOL1, HDLBP GSR 4050/4885OTC 1587/4885NOS2 4258/4885
US-20150299288-A1 Modified Insulin Polypeptides and Their Uses IAPP, INSR, IGFBP4 GSR 2755/4885OTC 2234/4885NOS2 4146/4885
US-20140296487-A1 Modified Human Plasma Polypeptide or Fc Scaffolds and Their Uses FGB, FCGR3B, FCGR2A GSR 3439/4885OTC 3999/4885NOS2 3197/4885
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP GSR 2147/4885OTC 4/4885NOS2 21/4885
US-20170035897-A1 Modified Relaxin Polypeptides and Their Uses RXFP1, RXFP2, RXFP4 GSR 2028/4885OTC 2066/4885NOS2 1488/4885
US-20120283172-A1 MODIFIED PORCINE SOMATOTROPIN POLYPEPTIDES AND THEIR USES CRH, IAPP, NPPA GSR 3979/4885OTC 2064/4885NOS2 2637/4885
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses DAO, DNPEP, AADAT GSR 2883/4885OTC 9/4885NOS2 29/4885
US-20140194357-A1 Modified Relaxin Polypeptides and Their Uses RXFP1, RXFP2, RXFP4 GSR 2028/4885OTC 2066/4885NOS2 1488/4885
US-20150152190-A1 Prostate-Specific Membrane Antigen Antibody Drug Conjugates KLK3, PTMS, DDOST GSR 3119/4885OTC 1788/4885NOS2 2024/4885
US-20130150564-A1 Modified FGF-21 Polypeptides and Their Uses FGF2, FGF1, FGF23 GSR 4651/4885OTC 4118/4885NOS2 2852/4885

“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.