SCHEMBL11941319

SCHEMBL11941319

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.35
DPP4 P27487 2/20 0.35
CTSS P25774 6/20 0.34
CTSB P07858 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CTSL P07711 2/20 0.33
CTSC P53634 1/20 0.33

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
SCHEMBL11949751 0.87 CTDSP1 (0.34) CTSKCTSSCTSBCTSLCTSC
SCHEMBL11941321 0.81 MCL1 (0.40) CTSKDPP4CTSSCTSBCTSL
SCHEMBL11259657 0.81 LMNA (0.42) CTSKDPP4CTSSCTSBCTSL
SCHEMBL11254450 0.72 CTSC (0.34) CTSKDPP4CTSSCTSBCTSL
SCHEMBL11949075 0.72 MCL1 (0.37) CTSKCTSSCTSBCTSLCTSC
SCHEMBL7619888 0.72 CTSK (0.36) CTSKCTSSCTSBCTSL
SCHEMBL11253688 0.71 DPP4 (0.33) CTSKDPP4CTSSCTSBCTSL
SCHEMBL11258789 0.71 CTSS (0.37) CTSKCTSSCTSBCTSLCTSC
SCHEMBL17133513 0.68 CTSC (0.44) CTSKCTSSCTSBCTSLCTSC
SCHEMBL15427227 0.68 CTSS (0.42) CTSKCTSSCTSBCTSLCTSC

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 CTSK 2584/4885DPP4 912/4885CTSS 2196/4885
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH CTSK 2584/4885DPP4 912/4885CTSS 2196/4885

“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.