SCHEMBL23970492

SCHEMBL23970492

C[C@H](CCCCCCBr)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.51
NAAA Q02083 3/20 0.43
IL6ST P40189 1/20 0.41
FAAH O00519 1/20 0.39
IDH1 O75874 7/20 0.38
ABCB1 P08183 1/20 0.37
PPARG P37231 1/20 0.37
AGTR2 P50052 1/20 0.36
HDAC1 Q13547 2/20 0.35

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
SCHEMBL3493546 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL28950477 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL28950479 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL3495345 0.99 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL357656 0.96 PPARA (0.50) PPARANAAAIL6STFAAHIDH1
SCHEMBL357655 0.96 PPARA (0.50) PPARANAAAIL6STFAAHIDH1
SCHEMBL13295722 0.90 PPARA (0.58) PPARANAAAIL6STIDH1ABCB1
SCHEMBL28582205 0.90 PPARA (0.58) PPARANAAAIL6STIDH1ABCB1
SCHEMBL28708853 0.90 PPARA (0.58) PPARANAAAIL6STIDH1ABCB1
SCHEMBL28708851 0.90 PPARA (0.58) PPARANAAAIL6STIDH1ABCB1

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
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

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 PPARA 2993/4885NAAA 922/4885IL6ST 1627/4885

“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.