SCHEMBL1827244

SCHEMBL1827244

C=CCOC(=O)C(C(=O)OCC=C)c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.50
PTGS1 P23219 3/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
XIAP P98170 1/20 0.49
PTPRC P08575 1/20 0.48
HIF1A Q16665 5/20 0.45
CYP3A4 P08684 4/20 0.45
ALOX15 P16050 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ABCB11 O95342 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
ACHE P22303 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL1827246 1.00 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL19472012 0.84 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL27709789 0.83 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL11133474 0.83 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL30202342 0.82 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL28813646 0.80 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL28632899 0.80 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29746697 0.78 SLC7A5 (0.48) SLC7A5PTGS1ALPIPKMXIAP
Iodide SCHEMBL28632896 0.78 PTPN1 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL524638 0.78 ITGB3 (0.59) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163262-B1 PHENYLALANINE DERIVATIVES US GOV HEALTH & HUMAN SERV (US) 2011-05-11 EP disclosed
US-7825216-B2 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
US-20070219194-A1 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability GEORGETOWN UNIVERSITY (US) 2007-09-20 US disclosed
US-7226991-B1 inhibiting SH2 domain binding with a phosphoprotein; to inhibit proliferation of tumor cells; for inhibiting the growth of human breast cancer cells UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-06-05 US disclosed
EP-1163262-A1 PHENYLALANINE DERIVATIVES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY of the DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-12-19 EP disclosed
WO-2000056760-A1 PHENYLALANINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-09-28 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 (1 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-20070219194-A1 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability TYRO3, PTMS, ACP1 SLC7A5 124/4885PTGS1 3255/4885ALPI 2131/4885

“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.