Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL2890845

CC(C)(C)OC=O.O=[C]OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 1/20 0.35
KMT2A Q03164 2/20 0.35
FABP5 Q01469 3/20 0.34
FABP7 O15540 2/20 0.34
EPHX2 P34913 1/20 0.33
CASP3 P42574 1/20 0.32
POLB P06746 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
SCHEMBL7764 0.84 CA1 (0.53) CA1CA2HTR2AKMT2AFABP5
SCHEMBL28101345 0.84 CA1 (0.44) CA1CA2HTR2AKMT2AFABP5
SCHEMBL27768296 0.83 CA1 (0.41) CA1CA2HTR2AKMT2AFABP5
Dimethylformamide SCHEMBL28310394 0.82 CA1 (0.43) CA1CA2HTR2AKMT2AFABP5
SCHEMBL28126451 0.79 CA1 (0.40) CA1CA2HTR2AKMT2AFABP5
SCHEMBL28310443 0.75 CA1 (0.44) CA1CA2HTR2AKMT2AFABP5
SCHEMBL22320252 0.73 HTR2A (0.40) CA1CA2HTR2AFABP5
Hydrochloric Acid SCHEMBL28129901 0.73 KMT2A (0.38) CA1CA2KMT2AFABP5FABP7
SCHEMBL18055683 0.72 CA1 (0.42) CA1CA2HTR2AKMT2AFABP5
SCHEMBL28202099 0.72 CA1 (0.44) CA1CA2HTR2AKMT2AFABP5

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812439-B2 KINASE INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-12-06 EP disclosed
EP-2145877-B1 Aurora Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-10-03 EP disclosed
EP-1812439-B1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
EP-2145878-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP disclosed
EP-2145877-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP disclosed
WO-2009129401-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 WO disclosed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP disclosed
EP-2079696-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-22 EP disclosed
EP-1999135-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-12-10 EP disclosed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP disclosed
EP-1763524-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-03-21 EP disclosed
EP-1694686-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2006-08-30 EP disclosed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
WO-2006044753-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO disclosed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO disclosed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 US disclosed
WO-2005123672-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-12-29 WO disclosed
WO-2005105788-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-11-10 WO disclosed
WO-2005061519-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-07 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-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 CA1 4656/4885CA2 3145/4885TDP1 1349/4885

“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.