SCHEMBL595107

SCHEMBL595107

CC(C)(C)OC(=O)n1ccc2cc(B(O)OC(C)(C)C(C)(C)O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
HCK P08631 2/20 0.40
SRC P12931 2/20 0.40
KDR P35968 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
MTOR P42345 2/20 0.40
PIK3CG P48736 2/20 0.40
EPHB4 P54760 2/20 0.40
PRKDC P78527 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
BUB1 O43683 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTR6 P50406 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ACLY P53396 1/20 0.31
CA12 O43570 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
SCHEMBL2081790 0.84 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL29538199 0.84 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL2693281 0.80 PRKCI (0.41) ABL1SRCPIK3CBTUBB1
SCHEMBL9989317 0.80 ROCK2 (0.41) EGFRHSP90AB1
SCHEMBL3607427 0.78 HTR6 (0.39) HTR6L3MBTL1
SCHEMBL3269495 0.74 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.74 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL8048 0.74 MAP2K4 (0.33)
Methane SCHEMBL6390810 0.73 HTR6 (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL2006239 0.73 OXER1 (0.50) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-02-27 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 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 (5 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-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 PIK3CD 1134/4885ABL1 261/4885EGFR 1596/4885
US-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX PIK3CD 2550/4885ABL1 379/4885EGFR 992/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 PIK3CD 1134/4885ABL1 261/4885EGFR 1596/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX PIK3CD 2550/4885ABL1 379/4885EGFR 992/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX PIK3CD 2550/4885ABL1 379/4885EGFR 992/4885

“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.