SCHEMBL2033294

SCHEMBL2033294

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CBr)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.37
AKT1 P31749 2/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ESRRG P62508 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GRM2 Q14416 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL6490662 0.84 CYP4F2 (0.42) SSTR4AKT1CYP4F2CYP4A11HDAC3
SCHEMBL2031099 0.81 SSTR4 (0.36) SSTR4
SCHEMBL28743743 0.79 GABRG2 (0.35) SSTR4AAK1MTNR1AMTNR1B
SCHEMBL7637443 0.79 NR1H2 (0.37) SSTR4AAK1MTNR1AMTNR1B
SCHEMBL16398545 0.78 HCAR3 (0.36)
SCHEMBL2637128 0.77 CES2 (0.42) CYP4F2CYP4A11ESRRGCES2CES1
SCHEMBL17969019 0.76 NOTUM (0.50) NPSR1L3MBTL1
SCHEMBL31431932 0.75 ALDH1A1 (0.43) L3MBTL1
SCHEMBL4396244 0.75 GRM2 (0.41) SSTR4AKT1HDAC3HDAC1HDAC2
SCHEMBL17980919 0.75 PDPK1 (0.38) SSTR4AKT1CYP4F2CYP4A11GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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 (2 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-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B SSTR4 2092/4885AKT1 39/4885CYP4F2 3067/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS SSTR4 3615/4885AKT1 29/4885CYP4F2 3623/4885

“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.