SCHEMBL4457800

SCHEMBL4457800

COC(=O)CC(=O)c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 1/20 0.44
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 4/20 0.39
ALOX12 P18054 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38

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
SCHEMBL31478419 0.85 TSHR (0.48) CES2CES1MEN1KMT2AKDM4E
SCHEMBL2459005 0.83 MEN1 (0.59) CES2CES1MEN1KMT2AKDM4E
SCHEMBL19367869 0.83 CES1 (0.59) CES2CES1MEN1KMT2AKDM4E
SCHEMBL29162697 0.82 CES2 (0.48) CES2CES1MEN1KMT2AKDM4E
SCHEMBL2056918 0.82 MEN1 (0.56) CES2CES1MEN1KMT2AKDM4E
SCHEMBL15173675 0.80 HCAR2 (0.53) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL452462 0.80 PLOD2 (0.56) CES2CES1MEN1KMT2AKDM4E
SCHEMBL2908590 0.78 PLOD2 (0.55) CES2CES1MEN1KMT2AKDM4E
SCHEMBL13886370 0.78 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL7220761 0.77 CES1 (0.52) CES2CES1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271925-A1 NOVEL TNF ACTIVITY INHIBITOR COMPOUND, AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ILAb Co., Ltd. (KR) 2023-08-31 US disclosed
EP-4180423-A1 NOVEL TNF ACTIVITY INHIBITOR COMPOUND, AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ILAb Co., Ltd. (KR) 2023-05-17 EP disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
EP-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 EP disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 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 (2 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-20230271925-A1 NOVEL TNF ACTIVITY INHIBITOR COMPOUND, AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TNF, NFKBIA, TNFRSF9 CES2 3504/4885CES1 888/4885MEN1 3757/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 CES2 299/4885CES1 191/4885MEN1 3092/4885

“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.