SCHEMBL21361242

SCHEMBL21361242

Cc1cc(-c2ncc(F)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)C(F)F)CC2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.35
ACACB O00763 2/20 0.32
ACACA Q13085 1/20 0.31
P2RX7 Q99572 4/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
MGLL Q99685 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL21357467 0.89 SPR (0.37) SPRACACBMAPK1CYP1A2CYP3A4
SCHEMBL21361241 0.87 ALDH1A1 (0.37) SPRMGLL
SCHEMBL21361222 0.86 SPR (0.35) SPRACACBMGLLMAPK1CYP1A2
SCHEMBL21361248 0.86 HDAC2 (0.37)
SCHEMBL21361251 0.84 CYP3A4 (0.42) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24120385 0.84 ACACB (0.34) ACACBP2RX7
SCHEMBL21361240 0.83 HSD17B10 (0.43) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21361253 0.83 SPR (0.36) SPRCYP3A4
SCHEMBL21361224 0.83 JAK1 (0.39) GRIN2B
SCHEMBL21361309 0.83 CYP2D6 (0.35) SPRACACBP2RX7TLR8TLR7

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 SPR 319/4885ACACB 734/4885ACACA 729/4885

“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.