SCHEMBL12435528

SCHEMBL12435528

C=C(C(C)=O)C(=O)CCCCC(N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.48
NOS2 P35228 5/20 0.47
NOS1 P29475 5/20 0.47
NOS3 P29474 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
ARG2 P78540 4/20 0.44
ARG1 P05089 3/20 0.44
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42

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
SCHEMBL12666896 0.87 CYP1A2 (0.52) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL13410444 0.85 GSR (0.55) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL21335925 0.84 NOS2 (0.54) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL827027 0.82 GSR (0.52) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL13410449 0.80 GSR (0.52) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL290779 0.77 GSR (0.59) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL12516455 0.77 GSR (0.59) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL10187382 0.77 KMT2A (0.47) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL12516811 0.77 KMT2A (0.50) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL12633804 0.76 NOS2 (0.37) GSRNOS2NOS1NOS3CYP1A2

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 12 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-20110178029-A1 Modified Human Apolipoprotein A-1 and Their Uses AMBRX, INC. (US) 2011-07-21 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 (8 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 4050/4885NOS2 4258/4885NOS1 3493/4885
US-20150299288-A1 Modified Insulin Polypeptides and Their Uses IAPP, INSR, IGFBP4 GSR 2755/4885NOS2 4146/4885NOS1 4563/4885
US-20140296487-A1 Modified Human Plasma Polypeptide or Fc Scaffolds and Their Uses FGB, FCGR3B, FCGR2A GSR 3439/4885NOS2 3197/4885NOS1 3630/4885
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP GSR 2147/4885NOS2 21/4885NOS1 40/4885
US-20170035897-A1 Modified Relaxin Polypeptides and Their Uses RXFP1, RXFP2, RXFP4 GSR 2028/4885NOS2 1488/4885NOS1 2469/4885
US-20140194357-A1 Modified Relaxin Polypeptides and Their Uses RXFP1, RXFP2, RXFP4 GSR 2028/4885NOS2 1488/4885NOS1 2469/4885
US-20150152190-A1 Prostate-Specific Membrane Antigen Antibody Drug Conjugates KLK3, PTMS, DDOST GSR 3119/4885NOS2 2024/4885NOS1 1729/4885
US-20130150564-A1 Modified FGF-21 Polypeptides and Their Uses FGF2, FGF1, FGF23 GSR 4651/4885NOS2 2852/4885NOS1 3622/4885

“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.