SCHEMBL11949751

SCHEMBL11949751

COC(=O)CC(=O)NC1(C#N)CCC(OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.34
CTSS P25774 5/20 0.33
CTSK P43235 5/20 0.33
CTSB P07858 2/20 0.33
CTSC P53634 2/20 0.32
CTSL P07711 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
EPHX2 P34913 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
SCHEMBL11941319 0.87 CTSK (0.35) CTSSCTSKCTSBCTSCCTSL
SCHEMBL11949075 0.85 MCL1 (0.37) CTDSP1CTSSCTSKCTSBCTSC
SCHEMBL20312225 0.76 MAPT (0.40) EPHX2
SCHEMBL11941320 0.76 MAPT (0.40) EPHX2
SCHEMBL15461529 0.69 SLC6A4 (0.33)
SCHEMBL11259657 0.68 LMNA (0.42) CTSSCTSKCTSBCTSCCTSL
SCHEMBL11941321 0.68 MCL1 (0.40) CTSSCTSKCTSBCTSCCTSL
SCHEMBL15427227 0.67 CTSS (0.42) CTSSCTSKCTSBCTSCCTSL
SCHEMBL13684519 0.66 TSHR (0.32) EPHX2
SCHEMBL11028229 0.66 GAA (0.38) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372580-B1 METHOD FOR THE PREPARATION OF 1-H-PYRROLIDIN-2,4-DIONE-DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-07-22 EP disclosed
EP-2668158-B1 METHOD FOR PRODUCING 1-H-PYRROLIDINE-2,4-DIONE DERIVATIVES BAYER IP GMBH (DE) 2018-06-27 EP disclosed
US-9272997-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 US disclosed
US-8859782-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER CROPSCIENCE AG (DE) 2014-10-14 US disclosed
US-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-07-26 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 (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-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH CTDSP1 463/4885CTSS 2196/4885CTSK 2584/4885
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH CTDSP1 463/4885CTSS 2196/4885CTSK 2584/4885

“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.