SCHEMBL8437778

SCHEMBL8437778

CCC(NC(C)=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
TP53 P04637 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
SCHEMBL11915410 1.00 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1CA1CA2
SCHEMBL16580128 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL21126128 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL20644467 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL19546153 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL24855310 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL8157991 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL14626394 0.81 TAS1R3 (0.42) ALDH1A1TAS1R3TAS1R1CA1CA2
SCHEMBL6722398 0.80 TAS1R3 (0.39) ALDH1A1TAS1R3TAS1R1CA1CA2
SCHEMBL11069069 0.80 ALDH1A1 (0.40) ALDH1A1CA1CA2CA7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-12-22 US disclosed
WO-2021239049-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-12-02 WO disclosed
EP-3526239-B1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORP (KR) 2021-11-03 EP disclosed
US-11162104-B2 SCN9A antisense pain killer OLIPASS CORPORATION (KR) 2021-11-02 US disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 WO disclosed
US-20190345202-A1 ANDROGEN RECEPTOR ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2019-11-14 US disclosed
US-20190337987-A1 EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES OLIPASS CORPORATION (KR) 2019-11-07 US disclosed
US-9988661-B2 Process for the modification of a glycoprotein using a glycosyltransferase that is or is derived from A β(1,4)-N-acetylgalactosaminyltransferase SYNAFFIX B.V. (NL) 2018-06-05 US disclosed
WO-2018069764-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2018-04-19 WO disclosed
US-20170130256-A1 PROCESS FOR THE MODIFICATION OF A GLYCOPROTEIN USING A GLYCOSYLTRANSFERASE THAT IS OR IS DERIVED FROM A ß(1,4)-N-ACETYLGALACTOSAMINYLTRANSFERASE SYNAFFIX B.V. (NL) 2017-05-11 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 ALDH1A1 922/4885TAS1R3 2809/4885TAS1R1 1526/4885
US-20190345202-A1 ANDROGEN RECEPTOR ANTISENSE OLIGONUCLEOTIDES AR, NR5A1, NR5A2 ALDH1A1 2699/4885TAS1R3 961/4885TAS1R1 1088/4885
US-20190337987-A1 EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES PTBP1, RBM17, UPF1 ALDH1A1 4196/4885TAS1R3 3208/4885TAS1R1 2068/4885
US-20170130256-A1 PROCESS FOR THE MODIFICATION OF A GLYCOPROTEIN USING A GLYCOSYLTRANSFERASE THAT IS OR IS DERIVED FROM A ß(1,4)-N-ACETYLGALACTOSAMINYLTRANSFERASE CSGALNACT1, B4GALT1, FUT8 ALDH1A1 778/4885TAS1R3 1178/4885TAS1R1 1344/4885
US-11162104-B2 SCN9A antisense pain killer SCN9A, SCN7A, SCN8A ALDH1A1 3390/4885TAS1R3 790/4885TAS1R1 1028/4885

“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.