SCHEMBL23970490

SCHEMBL23970490

CC(C)(C)OC(=O)C(C)(C)CCCCCBr

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
DGAT1 O75907 1/20 0.36
ACLY P53396 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ELANE P08246 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
SCHEMBL23971207 1.00 CYP4F2 (0.44) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL1721309 0.98 CYP4F2 (0.42) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL6080261 0.92 CYP4F2 (0.39) CYP4F2CYP4A11DGAT1ACLYTDP1
SCHEMBL22016458 0.90 CYP4F2 (0.52) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL16535616 0.85 DGAT1 (0.36) CYP4F2CYP4A11DGAT1TDP1FFAR1
SCHEMBL3041732 0.84 DGAT1 (0.41) CYP4F2CYP4A11DGAT1ELANE
SCHEMBL8986987 0.82 CYP4F2 (0.46) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL25078774 0.82 CYP4F2 (0.50) CYP4F2CYP4A11ELANE
SCHEMBL8987098 0.82 CYP4F2 (0.46) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL21109970 0.82 CYP4F2 (0.50) CYP4F2CYP4A11ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746969-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2026-05-27 EP disclosed
WO-2025024288-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-30 WO disclosed
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 CYP4F2 2632/4885CYP4A11 2870/4885DGAT1 675/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 CYP4F2 2632/4885CYP4A11 2870/4885DGAT1 675/4885

“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.