SCHEMBL934150

SCHEMBL934150

CC(CCO)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
NR1H2 P55055 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CTSK P43235 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.31
CTSS P25774 1/20 0.30
CHRNB2 P17787 1/20 0.30

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
SCHEMBL13847625 1.00 NOS1 (0.37) NOS1NOS3NOS2TDP1CA1
SCHEMBL14593930 0.84 KMT2A (0.39) NOS1NOS3NOS2TDP1CA1
SCHEMBL28718237 0.84 KMT2A (0.39) NOS1NOS3NOS2TDP1CA1
SCHEMBL17449756 0.83 CTSK (0.38) NOS1NOS3NOS2TDP1CA1
SCHEMBL26328986 0.83 NOS1 (0.37) NOS1NOS3NOS2TDP1CA1
SCHEMBL24719148 0.83 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL12236056 0.83 CTSK (0.38) NOS1NOS3NOS2TDP1CA1
SCHEMBL6740323 0.83 NOS1 (0.37) NOS1NOS3NOS2TDP1CA1
SCHEMBL6740260 0.82 CA1 (0.37) NOS1NOS3NOS2TDP1CA1
SCHEMBL12309460 0.82 CA1 (0.37) NOS1NOS3NOS2TDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110383066-A Compound, composition and method 戴纳立制药公司 2019-10-25 CN disclosed
US-10307434-B2 Nucleic acid prodrugs and methods of use thereof WAVE LIFE SCIENCES LTD. (SG) 2019-06-04 US disclosed
US-9744183-B2 Nucleic acid prodrugs and methods of use thereof WAVE LIFE SCIENCES LTD. (SG) 2017-08-29 US disclosed
US-20160347784-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES PTE. LTD. (SG) 2016-12-01 US disclosed
CN-102596204-B New nucleic acid prodrugs and using method thereof 波涛生命科学有限公司 2016-11-23 CN disclosed
US-20120316224-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF ONTORII, INC (US) 2012-12-13 US disclosed
CN-102596204-A Novel nucleic acid prodrugs and methods use thereof ONTORII INC 2012-07-18 CN disclosed
EP-2451461-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF Ontorii, Inc (US) 2012-05-16 EP disclosed
WO-2011005761-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS USE THEREOF ONTORII, INC (US) 2011-01-13 WO disclosed
EP-1257535-B1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2007-05-23 EP disclosed
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
EP-1301483-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-16 EP disclosed
EP-1257535-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2002-11-20 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
US-20020058646-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBVIE INC. 2002-05-16 US disclosed
WO-2002006233-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-24 WO disclosed
US-20010034357-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBOTT LABORATORIES 2001-10-25 US disclosed
WO-2001056991-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 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-20120316224-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF PNP, RNGTT, TYMP NOS1 2301/4885NOS3 2385/4885NOS2 2554/4885
US-20160347784-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF PNP, RNGTT, TYMP NOS1 2301/4885NOS3 2385/4885NOS2 2554/4885
US-20020058646-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission SLC18A2, SLC18A3, CHRNA4 NOS1 3467/4885NOS3 2612/4885NOS2 3494/4885
US-20010034357-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission SLC18A2, SLC18A3, CHRNA4 NOS1 3467/4885NOS3 2612/4885NOS2 3494/4885
US-10307434-B2 Nucleic acid prodrugs and methods of use thereof PNP, RNGTT, NSUN2 NOS1 2525/4885NOS3 2368/4885NOS2 2672/4885

“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.