SCHEMBL21361312

SCHEMBL21361312

CCS(=O)(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(-c3ccc(F)cc3)cc1C)C(=O)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.35
MCHR1 Q99705 5/20 0.35
PTGS1 P23219 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SSTR5 P35346 2/20 0.34
KCNH2 Q12809 1/20 0.34
CYP17A1 P05093 2/20 0.33
CYP21A2 P08686 2/20 0.33
CYP11B1 P15538 2/20 0.33
SPR P35270 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 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
SCHEMBL21361264 0.92 SLC6A9 (0.35) PTGS2MCHR1PTGS1SSTR5KCNH2
SCHEMBL24120471 0.89 MCHR1 (0.34) PTGS2MCHR1PTGS1L3MBTL1
SCHEMBL21361245 0.85 SSTR5 (0.32) SSTR5KCNH2
SCHEMBL21361217 0.82 CNR1 (0.38) PTGS2MCHR1PTGS1SSTR5
SCHEMBL21361289 0.81 HDAC2 (0.42) CYP3A4CYP2D6CYP2C19
SCHEMBL24120100 0.81 PDE4B (0.34) MCHR1
SCHEMBL21361254 0.79 RORC (0.40)
SCHEMBL21361248 0.79 HDAC2 (0.37) SSTR5KCNH2
SCHEMBL21361249 0.79 HDAC2 (0.38) SSTR5CYP3A4
SCHEMBL26035134 0.79 HDAC2 (0.44) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS2 1506/4885MCHR1 1773/4885PTGS1 972/4885

“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.