SCHEMBL23970707

SCHEMBL23970707

COC(=O)c1cc(OC)n2c(C)c(-c3cc4ccc(OCc5ccccc5)nc4n3C(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PADI4 Q9UM07 6/20 0.35
NR1H2 P55055 6/20 0.34
TLR9 Q9NR96 3/20 0.33
PPARG P37231 2/20 0.33
TLR7 Q9NYK1 1/20 0.32
NR1H3 Q13133 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
SCHEMBL29642241 1.00 LMNA (0.36) LMNAHPGDPADI4NR1H2TLR9
SCHEMBL29642372 0.83 PADI4 (0.50) LMNAHPGDPADI4
SCHEMBL30411578 0.78 LMNA (0.42) LMNAHPGDPPARG
SCHEMBL23971164 0.78 LMNA (0.42) LMNAHPGDPPARG
SCHEMBL29642366 0.74 PADI4 (0.53) PADI4
SCHEMBL24568058 0.74 PADI4 (0.53) PADI4
SCHEMBL24568632 0.73 NR1H2 (0.35) NR1H2NR1H3
SCHEMBL23971162 0.72 KDM5A (0.38) LMNAHPGD
SCHEMBL29642296 0.72 KDM5A (0.38) LMNAHPGD
SCHEMBL23970708 0.70 GRM5 (0.37) NR1H2TLR9TLR7NR1H3

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
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 LMNA 2684/4885HPGD 729/4885PADI4 1/4885

“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.