SCHEMBL20555153

SCHEMBL20555153

CS(=O)(=O)c1ncc(C(F)(F)F)c(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.42
▸ LRRK2 Q5S007 11/20 0.39
▸ CDK2 P24941 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ XPO1 O14980 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ CCNE1 P24864 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL20555383 0.82 TLR8 (0.37) TLR8LRRK2CDK2KDRLMNA
SCHEMBL24087394 0.77 SDHB (0.39) TLR8LRRK2CDK2KDRNR1H2
SCHEMBL29141591 0.74 TLR9 (0.39) TLR8LRRK2CDK2KDRNR1H2
SCHEMBL20555638 0.72 LRRK2 (0.44) LRRK2XPO1
SCHEMBL25243394 0.72 KDR (0.44) LRRK2CDK2KDRNR1H2NR1H3
SCHEMBL31726565 0.72 KDR (0.44) LRRK2CDK2KDRNR1H2NR1H3
SCHEMBL20555399 0.72 SMN1; SMN2 (0.33) TLR8LRRK2CDK2KDRLMNA
SCHEMBL29820783 0.72 CCNE1 (0.44) CDK2LMNAPTK2CCNE1
SCHEMBL12795953 0.70 PDE4B (0.44) TP53L3MBTL1
SCHEMBL30703638 0.70 JAK3 (0.46) TLR8LRRK2CDK2KDRLMNA

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
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 — — US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 — — US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 — — 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 (3 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-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT TLR8 4382/4885LRRK2 1/4885CDK2 51/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA TLR8 4379/4885LRRK2 1/4885CDK2 51/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT TLR8 4382/4885LRRK2 1/4885CDK2 51/4885

“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.

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