SCHEMBL2496562

SCHEMBL2496562

CC(C)(C)OC(=O)NC1(OC=O)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
CTSK P43235 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
APLNR P35414 1/20 0.33
EPHX1 P07099 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
BTK Q06187 1/20 0.32
CTSL P07711 1/20 0.32
MAPK10 P53779 1/20 0.31

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
SCHEMBL20338584 1.00 P2RX7 (0.35) P2RX7CTSKGAAMEN1MAPK1
SCHEMBL20338609 1.00 P2RX7 (0.35) P2RX7CTSKGAAMEN1MAPK1
SCHEMBL2500185 0.98 CTSK (0.35) P2RX7CTSKGAAMEN1MAPK1
SCHEMBL571145 0.95 CTSK (0.35) P2RX7CTSKGAAMEN1MAPK1
SCHEMBL570580 0.92 CTSK (0.36) CTSKGAAMEN1MAPK1KMT2A
SCHEMBL28607231 0.83 CTSK (0.35) CTSKGAAMEN1MAPK1KMT2A
SCHEMBL29280568 0.81 GAA (0.37) CTSKGAAMEN1MAPK1KMT2A
SCHEMBL25645220 0.79 APLNR (0.36) CTSKGAAMEN1MAPK1KMT2A
SCHEMBL1162997 0.79 BTK (0.36) P2RX7CTSKGAAMEN1MAPK1
SCHEMBL28367798 0.77 BTK (0.35) P2RX7CTSKGAAMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478627-A Allylation monophosphine ligand and preparation method thereof 湖北大学 2022-05-13 CN claimed
CN-114478627-A Allylation monophosphine ligand and preparation method thereof 湖北大学 2022-05-13 CN disclosed
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS DFH THERAPEUTICS, INC. 2018-08-02 US disclosed
US-20180186860-A1 SYNTHETIC APOLIPOPROTEINS, AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR NANOLIPOPROTEIN PARTICLES FORMATION U.S. DEPARTMENT OF ENERGY 2018-07-05 US disclosed
US-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-01-12 US disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US 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 (4 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-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B P2RX7 378/4885CTSK 647/4885GAA 2152/4885
US-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS ERG28, CCR3, ACBD3 P2RX7 3187/4885CTSK 1531/4885GAA 3309/4885
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS ERG28, CCR3, ACBD3 P2RX7 3223/4885CTSK 1385/4885GAA 2905/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 P2RX7 4175/4885CTSK 1512/4885GAA 3124/4885

“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.