SCHEMBL229096

SCHEMBL229096

N[C@@H](CC1=CCC(O)(I)C=C1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.38
PKM P14618 2/20 0.38
PTGS1 P23219 2/20 0.38
ALPI P09923 1/20 0.38
XIAP P98170 1/20 0.38
HSD17B10 Q99714 5/20 0.35
USP2 O75604 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALOX15 P16050 3/20 0.35
LMNA P02545 3/20 0.35
THRB P10828 3/20 0.35
CYP3A4 P08684 3/20 0.35
HIF1A Q16665 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL4262731 0.84 SLC7A5 (0.40) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29054244 0.84 SLC7A5 (0.37) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL7200971 0.83 SLC7A5 (0.39) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL3284389 0.82 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL28669915 0.82 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL2389248 0.82 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29436333 0.82 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL28679240 0.82 SLC7A5 (0.39) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL1614571 0.82 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29964933 0.81 SLC7A5 (0.37) SLC7A5PKMPTGS1ALPIXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086738-A2 COMPOSITIONS AND METHODS OF USE FOR INTEINS GRO BIOSCIENCES INC. (US) 2024-04-25 WO claimed
WO-2024086738-A2 COMPOSITIONS AND METHODS OF USE FOR INTEINS GRO BIOSCIENCES INC. (US) 2024-04-25 WO disclosed
CN-117534595-A Isotopically enriched 3-amino-1-propanesulfonic acid derivatives and uses thereof 润佳(苏州)医药科技有限公司 2024-02-09 CN disclosed
CN-116785269-A Homotaurine derivatives and uses thereof 润佳(苏州)医药科技有限公司 2023-09-22 CN disclosed
CN-116763768-A Isotopically enriched 3-amino-1-propanesulfonic acid derivatives and uses thereof 润佳(苏州)医药科技有限公司 2023-09-19 CN disclosed
CN-113660957-A Compositions, methods, and uses comprising antibody-TLR agonist conjugates AMBRX公司 2021-11-16 CN disclosed
EP-2793027-B1 Unnatural reactive amino acid genetic code additions SCRIPPS RESEARCH INST (US) 2019-11-13 EP disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 US disclosed
US-9580721-B2 Expanding the eukaryotic genetic code The Scripps Reserach Institute (US) 2017-02-28 US disclosed
EP-2410331-B1 Aminoacyl-tRNA synthetase for aminoacylation tRNA with unnatural amino acids SCRIPPS RESEARCH INST (US) 2015-09-23 EP disclosed
US-20080176277-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-24 US disclosed
US-20070166791-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 US disclosed
US-20070154952-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-05 US disclosed
US-20060246509-A1 protein containing an amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug by a [3+2] cycloaddition; translation biochemistry in eukaryotic cells; gene expression inhibitors THE SCRIPPS RESEARCH INSTITUTE 2006-11-02 US disclosed
US-20050130949-A1 Cyclic polyamine compounds for cancer therapy SLIL BIOMEDICAL CORPORATION 2005-06-16 US disclosed
US-20050009049-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2005-01-13 US disclosed
US-20040265952-A1 protein containing a modified amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug that carries an alkynyl or azido group; translation biochemistry in eukaryotic cells; gene expression inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2004-12-30 US disclosed
EP-1305299-A1 CYCLIC POLYAMINE COMPOUNDS FOR CANCER THERAPY SLIL Biomedical Corporation (US) 2003-05-02 EP disclosed
US-20030072715-A1 Cyclic polyamine compounds for cancer therapy UNIVERSITY OF ZURICH (SE) 2003-04-17 US disclosed
WO-2002010142-A1 CYCLIC POLYAMINE COMPOUNDS FOR CANCER THERAPY SLIL BIOMEDICAL CORPORATION (US) 2002-02-07 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 (5 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-20030072715-A1 Cyclic polyamine compounds for cancer therapy SRM, SMS, CATSPER1 SLC7A5 713/4885PKM 161/4885PTGS1 1053/4885
US-20050130949-A1 Cyclic polyamine compounds for cancer therapy SRM, ADORA3, ADORA1 SLC7A5 696/4885PKM 303/4885PTGS1 869/4885
US-20070154952-A1 Expanding the eukaryotic genetic code NSUN3, AARS1, TRMT1 SLC7A5 263/4885PKM 3536/4885PTGS1 3470/4885
US-20050009049-A1 Expanding the eukaryotic genetic code NSUN3, AARS1, TRMT1 SLC7A5 263/4885PKM 3536/4885PTGS1 3470/4885
US-20060246509-A1 protein containing an amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug by a [3+2] cycloaddition; translation biochemistry in eukaryotic cells; gene expression inhibitors AARS1, ASNS, KARS1 SLC7A5 431/4885PKM 3070/4885PTGS1 4151/4885

“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.