SCHEMBL476005

SCHEMBL476005

[CH2]C(O)c1ccccc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.37
ABCB1 P08183 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
PBRM1 Q86U86 1/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL7225524 1.00 CES2 (0.39) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL12714331 0.83 CES2 (0.41) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL11809743 0.81 KDM4E (0.41) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL1635308 0.80 GABRA1 (0.50) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL29567244 0.80 GABRA1 (0.50) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL13304309 0.79 CYP3A4 (0.38) CES2CES1LMNAALDH1A1KDM4E
Hydrogen Peroxide SCHEMBL1652481 0.78 GABRA1 (0.48) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL965996 0.78 LMNA (0.48) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL378837 0.78 LMNA (0.48) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL31681943 0.78 LMNA (0.48) CES2CES1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
WO-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME HOLOSMEDIC (KR) 2024-03-28 US disclosed
US-11866515-B2 Hemiasterlin derivatives for conjugation and therapy SUTRO BIOPHARMA, INC. (US) 2024-01-09 US disclosed
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed
US-20230139442-A1 MODIFIED AMINO ACIDS SUTRO BIOPHARMA, INC. 2023-05-04 US disclosed
EP-4174068-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME Holosmedic (KR) 2023-05-03 EP disclosed
US-11548852-B2 Modified amino acids SUTRO BIOPHARMA, INC. (US) 2023-01-10 US disclosed
CN-107428801-B Hemiasterlin derivatives for coupling and therapy 苏特罗生物制药公司 2022-12-20 CN disclosed
US-20060122146-A1 Preparation of 2'-fluoro-2'-alkyl-substituted or other optionally substituted ribofuranosyl pyrimidines and purines and their derivatives GILEAD SCIENCES, INC. 2006-06-08 US disclosed
EP-1656093-A2 NUCLEOSIDES FOR TREATMENT OF INFECTION BY CORONA VIRUSES, TOGA VIRUSES AND PICORNA VIRUSES Idenix (Cayman) Limited (KY) 2006-05-17 EP disclosed
EP-1576138-A2 2-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION Idenix (Cayman) Limited (KY) 2005-09-21 EP disclosed
EP-1525209-A2 1'-, 2'- AND 3' -MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS Idenix (Cayman) Limited (KY) 2005-04-27 EP disclosed
WO-2005020884-A2 NUCLEOSIDES FOR TREATMENT OF INFECTION BY CORONA VIRUSES, TOGA VIRUSES AND PICORNA VIRUSES IDENIX (CAYMAN) LIMITED (KY) 2005-03-10 WO disclosed
US-20050031588-A1 With purine or pyrimidine base; for use in combination with drugs that induce mutation in Flaviviridae at location other than mutation of nucleotide that results in change from serine to a different amino acid in highly conserved consensus sequence XRXSGXXXT of domain B of the RNA polymerase region IDENIX PHARMACEUTICALS LLC 2005-02-10 US disclosed
WO-2004046331-A2 2’-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION IDENIX (CAYMAN) LIMITED (KY) 2004-06-03 WO disclosed
US-20040077587-A1 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004003000-A2 1’-, 2'- AND 3'- MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
WO-1999011625-A1 HUPERZINE A DERIVATIVES MACRO HI-TECH JV, LTD. (US) 1999-03-11 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 (7 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-20050031588-A1 With purine or pyrimidine base; for use in combination with drugs that induce mutation in Flaviviridae at location other than mutation of nucleotide that results in change from serine to a different amino acid in highly conserved consensus sequence XRXSGXXXT of domain B of the RNA polymerase region PNP, NSUN2, RNGTT CES2 1237/4885CES1 1569/4885LMNA 1261/4885
US-11548852-B2 Modified amino acids PTMS, DNPEP, ANPEP CES2 2466/4885CES1 2975/4885LMNA 2608/4885
US-11866515-B2 Hemiasterlin derivatives for conjugation and therapy CYP17A1, HSD17B7, SHBG CES2 4602/4885CES1 2801/4885LMNA 1536/4885
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME SLC11A2, ABCC1, TSG101 CES2 3970/4885CES1 1602/4885LMNA 2799/4885
US-20040077587-A1 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections NSUN2, BCDIN3D, METTL16 CES2 560/4885CES1 672/4885LMNA 3635/4885
US-20230139442-A1 MODIFIED AMINO ACIDS PTMS, DNPEP, ANPEP CES2 2466/4885CES1 2975/4885LMNA 2608/4885
US-20060122146-A1 Preparation of 2'-fluoro-2'-alkyl-substituted or other optionally substituted ribofuranosyl pyrimidines and purines and their derivatives NSUN2, FBL, RNGTT CES2 1171/4885CES1 1078/4885LMNA 471/4885

“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.