SCHEMBL1822013

SCHEMBL1822013

CC(=O)Oc1cc(CBr)ccc1CC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
CFD P00746 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PTGS1 P23219 1/20 0.37
AKT1 P31749 1/20 0.35
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL1817586 0.82 MTNR1A (0.45) MTNR1AMTNR1BKDM4E
SCHEMBL652962 0.80 CFD (0.44) MTNR1AMTNR1BCFDCYP4F2CYP4A11
SCHEMBL1819235 0.80 MTNR1A (0.46) MTNR1AMTNR1BCYP4F2CYP4A11
SCHEMBL25678082 0.78 MTNR1A (0.45) MTNR1AMTNR1BCYP4F2CYP4A11AKT1
SCHEMBL7658382 0.76 CFD (0.56) CFDCYP4F2CYP4A11PTGS1AKT1
SCHEMBL2249183 0.76 MTNR1A (0.46) MTNR1AMTNR1BCYP4F2CYP4A11AKT1
SCHEMBL6044531 0.76 CFD (0.49) CFDCYP4F2CYP4A11PTGS1KDM4E
SCHEMBL10728499 0.72 CYP4F2 (0.51) CFDCYP4F2CYP4A11PTGS1AKT1
SCHEMBL7650416 0.72 PTGS1 (0.66) CFDCYP4F2CYP4A11PTGS1
SCHEMBL20734904 0.72 PTGS1 (0.57) CFDCYP4F2CYP4A11PTGS1

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 MTNR1A 2800/4885MTNR1B 3301/4885CFD 2810/4885

“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.