SCHEMBL1820517

SCHEMBL1820517

Cc1ccc(CC(=O)OC(C)(C)C)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SRC P12931 1/20 0.41
TRPA1 O75762 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CSNK2A1 P68400 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MPL P40238 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL16410216 0.83 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1SRCTDP1
SCHEMBL1560313 0.83 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1MIF
SCHEMBL1821420 0.81 MTNR1A (0.43) MTNR1AMTNR1BSRC
SCHEMBL1817586 0.80 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1POLBMAPT
SCHEMBL23692161 0.80 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1TRPA1LMNA
SCHEMBL21437740 0.80 EGFR (0.48) ALDH1A1POLBMAPTSRC
SCHEMBL29591476 0.80 EGFR (0.48) ALDH1A1POLBMAPTSRC
SCHEMBL18086521 0.79 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1MAPTNPC1
SCHEMBL6838322 0.78 MAPT (0.40) ALDH1A1POLBMAPTSRCTRPA1
SCHEMBL29852860 0.78 AKR1B1 (0.55) MTNR1AMTNR1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
EP-1163262-B1 PHENYLALANINE DERIVATIVES US GOV HEALTH & HUMAN SERV (US) 2011-05-11 EP disclosed
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-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-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
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 (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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 MTNR1A 401/4885MTNR1B 399/4885ALDH1A1 3726/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 MTNR1A 401/4885MTNR1B 399/4885ALDH1A1 3726/4885
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 3301/4885ALDH1A1 3894/4885

“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.