SCHEMBL7454528

SCHEMBL7454528

CC(C)c1nc(C(F)(F)F)ccc1C(=O)c1c(S(C)(=O)=O)noc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32
TRPV1 Q8NER1 6/20 0.31
SLC6A9 P48067 2/20 0.31
CETP P11597 2/20 0.31
TLR8 Q9NR97 1/20 0.30
NR1H3 Q13133 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
P2RX7 Q99572 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
KCNH2 Q12809 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
SCHEMBL7463504 0.83 GPBAR1 (0.35) GPBAR1PTGDR2
SCHEMBL6599094 0.76 NPC1 (0.36) DPP4DPP7
SCHEMBL6594174 0.75 NPC1 (0.40) GPBAR1DPP4
SCHEMBL8466191 0.75 HPD (0.44)
Methane SCHEMBL7454536 0.73
SCHEMBL6429871 0.69 LMNA (0.37) GPBAR1PTGDR2
SCHEMBL8762868 0.69 CACNA1B (0.39) GPBAR1SLC6A9NR1H3DPP4DPP7
SCHEMBL6429850 0.69 LMNA (0.36) GPBAR1PTGDR2
SCHEMBL8492198 0.68 CACNA1B (0.40) GPBAR1NR1H3
SCHEMBL8492713 0.66 NR1H2 (0.37) GPBAR1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498125-B2 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-12-24 US disclosed
US-20020016345-A1 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-02-07 US disclosed
EP-1114030-A1 PYRIDINE KETONES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2001-07-11 EP disclosed
WO-2000015615-A1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-03-23 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-20020016345-A1 Pyridine ketones useful as herbicides DDT, PDHA1, IDH2 GPBAR1 1311/4885PTGDR2 2697/4885TRPV1 3024/4885

“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.