SCHEMBL21361313

SCHEMBL21361313

CCS(=O)(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(-c3ccc(C#N)cn3)cc1C)C(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCR6 P51684 2/20 0.35
HSD11B1 P28845 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
KCNJ1 P48048 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM1A O60341 1/20 0.33
KIT P10721 2/20 0.33
CNR2 P34972 1/20 0.33
PARP1 P09874 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL24120309 0.91 KDM4E (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL21361244 0.85 KIT (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL21361283 0.84 CYP1A2 (0.41) CYP2C9PIK3CAMTORCYP2D6TSHR
SCHEMBL24120345 0.84 KDM4E (0.36) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL21361223 0.83 JAK2 (0.37) PIK3CAMTORCNR2
SCHEMBL24324810 0.83 ACACA (0.35) CYP2C9PIK3CAMTORKCNJ1CNR2
SCHEMBL21361291 0.83 FASN (0.37) KDM1A
SCHEMBL21361287 0.82 IRAK4 (0.37) HSD11B1CYP3A4CYP2C9PIK3CAMTOR
SCHEMBL21361296 0.82 MAPK1 (0.44) ALDH1A1HPGDCYP3A4CYP2C9PIK3CA
SCHEMBL21361286 0.81 IRAK4 (0.36) HSD11B1CYP3A4CYP2C9PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 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 (1 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 KDM4E 1227/4885ALDH1A1 26/4885HPGD 132/4885

“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.