SCHEMBL1798535

SCHEMBL1798535

N=C(N)N(O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
CYP1A2 P05177 1/20 0.47
SRR Q9GZT4 2/20 0.45
EPHX1 P07099 1/20 0.45
CPA3 P15088 3/20 0.42
CPA1 P15085 2/20 0.42
FOLH1 Q04609 1/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
ADAMTS5 Q9UNA0 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1798536 1.00 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL6552292 0.85 GRIK1 (0.44) SLC1A3SLC1A2SLC1A1
SCHEMBL7335142 0.85 ALPI (0.50) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL7335152 0.85 ALPI (0.50) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL2927474 0.83 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL2927472 0.83 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL1764172 0.82 ALPI (0.47) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL434524 0.79 ALPI (0.55) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL434525 0.79 ALPI (0.55) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL2466759 0.78 CYP1A2 (0.57) SLC1A3SLC1A2SLC1A1ALPIPKM

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-7951943-B2 Method for preparing and purifying 3-hydroxyamidinophenylalanine compounds WILEX AG (DE) 2011-05-31 US claimed
EP-1799665-B1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID WILEX AG (DE) 2009-08-19 EP claimed
US-20090099360-A9 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid WILEX AG (DE) 2009-04-16 US claimed
US-20080039626-A1 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid WILEX AG (DE) 2008-02-14 US claimed
CN-114105910-A Hydroxyamidinophenylalanine derivative, pharmaceutical composition and application 北京悦康科创医药科技股份有限公司 2022-03-01 CN disclosed
CN-114105910-A Hydroxyamidinophenylalanine derivative, pharmaceutical composition and application 北京悦康科创医药科技股份有限公司 2022-03-01 CN disclosed
CN-114105910-A Hydroxyamidinophenylalanine derivative, pharmaceutical composition and application 北京悦康科创医药科技股份有限公司 2022-03-01 CN disclosed
US-9089532-B2 Stable dosage form of phenylalanine derivatives WILEX AG (DE) 2015-07-28 US disclosed
US-7951943-B2 Method for preparing and purifying 3-hydroxyamidinophenylalanine compounds WILEX AG (DE) 2011-05-31 US disclosed
US-20090099360-A9 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid WILEX AG (DE) 2009-04-16 US disclosed
US-20080039626-A1 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid WILEX AG (DE) 2008-02-14 US disclosed
US-20070244127-A1 Stable Dosage Form of Phenylalanine Derivatives WILEX AG (DE) 2007-10-18 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 (3 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-20070244127-A1 Stable Dosage Form of Phenylalanine Derivatives FAP, PAH, PEPD SLC1A3 785/4885SLC1A2 970/4885SLC1A1 910/4885
US-20090099360-A9 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid PEPD, PAH, PRSS3 SLC1A3 1237/4885SLC1A2 1733/4885SLC1A1 1357/4885
US-20080039626-A1 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid PEPD, PAH, PRSS3 SLC1A3 1237/4885SLC1A2 1733/4885SLC1A1 1357/4885

“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.