SCHEMBL6740260

SCHEMBL6740260

CC(CO)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 1/20 0.37
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
PRKCA P17252 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CA9 Q16790 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL12309460 1.00 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL14593924 0.83 CA1 (0.38) CA1CA2CA7NOS1NOS3
SCHEMBL934150 0.82 NOS1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL13847625 0.82 NOS1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL110481 0.81 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL12567766 0.81 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL6740257 0.81 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL16665545 0.81 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL14593930 0.79 KMT2A (0.39) CA1CA2CA7NOS1NOS3
SCHEMBL4767561 0.79 CA1 (0.36) CA1CA2CA7NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162906-A1 Pesticide Biomarker NAGY JON OWEN (US) 2014-06-12 US disclosed
US-8568814-B2 Lanthionine derivatives AJINOMOTO CO., INC. (JP) 2013-10-29 US disclosed
US-20120282386-A1 LANTHIONINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-11-08 US disclosed
US-20110166043-A1 BIOMARKER DETECTION-2 ATERIS TECHNOLOGIES, LLC 2011-07-07 US disclosed
CN-1649828-A Tumor imaging compounds UNIV EMORY (US) 2005-08-03 CN disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
EP-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 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 (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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 CA1 2224/4885CA2 511/4885CA7 2363/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 CA1 1441/4885CA2 220/4885CA7 1526/4885
US-20110166043-A1 BIOMARKER DETECTION-2 CPB2, NAALAD2, PRSS2 CA1 235/4885CA2 290/4885CA7 867/4885
US-20120282386-A1 LANTHIONINE DERIVATIVES CASR, KCNJ5, CALCR CA1 522/4885CA2 92/4885CA7 472/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 CA1 3587/4885CA2 1233/4885CA7 1530/4885

“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.