SCHEMBL3054343

SCHEMBL3054343

CC(C)(C)OC(=O)n1cc(B(O)O)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRA6 Q16445 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR2 O95136 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL29950705 1.00 HTR6 (0.45) HTR6L3MBTL1PLK1GABRA1GABRG2
SCHEMBL29957304 0.85 HTR6 (0.46) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL26204111 0.84 HTR6 (0.45) HTR6L3MBTL1ACHEMEN1KMT2A
SCHEMBL2115428 0.84 HTR6 (0.46) HTR6L3MBTL1PLK1GABRA1GABRG2
SCHEMBL2461044 0.83 ALDH1A1 (0.55) HTR6L3MBTL1PLK1GABRA1GABRG2
SCHEMBL29954772 0.83 AKR1C3 (0.46) HTR6L3MBTL1KDM4EALDH1A1
SCHEMBL1778702 0.83 AKR1C3 (0.46) HTR6L3MBTL1KDM4EALDH1A1
SCHEMBL3051164 0.83 HTR6 (0.46) HTR6L3MBTL1PLK1GABRA1GABRG2
SCHEMBL30407382 0.83 HTR6 (0.46) HTR6L3MBTL1PLK1GABRA1GABRG2
SCHEMBL16972300 0.83 HTR6 (0.46) HTR6L3MBTL1PLK1GABRA1GABRG2

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-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 US disclosed
EP-2040546-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-01 EP disclosed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 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-20100267707-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET HTR6 931/4885L3MBTL1 1562/4885PLK1 94/4885

“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.