SCHEMBL23970752

SCHEMBL23970752

CC(C)(C)OC(=O)c1c(F)cccc1CCCCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
BID P55957 4/20 0.38
MCL1 Q07820 4/20 0.38
BCL2L1 Q07817 3/20 0.38
BAK1 Q16611 3/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 2/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL23971426 0.85 PPARA (0.39) PPARABIDMCL1BCL2L1BAK1
SCHEMBL30159187 0.85 PPARA (0.39) PPARABIDMCL1BCL2L1BAK1
SCHEMBL23971318 0.84 PPARA (0.36) PPARABIDMCL1BCL2L1BAK1
SCHEMBL23970524 0.83 HDAC1 (0.56) PPARAPPARGHDAC1HDAC6CYP4F2
SCHEMBL30159096 0.83 HDAC1 (0.56) PPARAPPARGHDAC1HDAC6CYP4F2
SCHEMBL23971066 0.81 TDP1 (0.35) CYP4F2CYP4A11TDP1
SCHEMBL23971381 0.80 CYP4F2 (0.38) CYP4F2CYP4A11TDP1
SCHEMBL23970566 0.80 SSTR4 (0.38) CYP4F2CYP4A11TDP1
SCHEMBL23971056 0.79 CYP4F2 (0.37) CYP4F2CYP4A11TDP1
SCHEMBL30159069 0.79 CYP4F2 (0.37) CYP4F2CYP4A11TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 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 (2 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-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 PPARA 2993/4885BID 1380/4885MCL1 753/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 PPARA 2993/4885BID 1380/4885MCL1 753/4885

“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.