SCHEMBL1820503

SCHEMBL1820503

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc(CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
AKT1 P31749 1/20 0.35
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL5216265 0.85 APP (0.45) LMNAAPPESR1CYP2C9NFKB1
SCHEMBL16569006 0.85 PPARG (0.44) LMNAKMT2AAPPALDH1A1ESR1
SCHEMBL3694372 0.83 CYP3A4 (0.38) LMNAKMT2ACES2CES1APP
SCHEMBL4958199 0.81 KMT2A (0.45) LMNAKMT2AAPPALDH1A1CYP1A2
SCHEMBL1245785 0.80 APP (0.36) LMNAKMT2ACYP4F2CYP4A11APP
SCHEMBL3702175 0.79 CHRM2 (0.43) LMNAKMT2ACES2CES1CYP4F2
SCHEMBL1820943 0.79 LMNA (0.46) LMNAKMT2ACES2CES1APP
SCHEMBL3710178 0.78 AAK1 (0.44) LMNAKMT2ACES2CES1CYP4F2
SCHEMBL2599350 0.77 LMNA (0.45) LMNAKMT2AAPPALDH1A1CYP3A4
SCHEMBL1818550 0.77 SLC7A5 (0.53) LMNAKMT2AALDH1A1CYP3A4CYP1A2

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 LMNA 4633/4885KMT2A 1066/4885CES2 4258/4885

“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.