SCHEMBL30159239

SCHEMBL30159239

CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](NC(=O)c2cc([N+](=O)[O-])c(NCCC(N)=O)cc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.41
SCN9A Q15858 2/20 0.37
RIPK1 Q13546 2/20 0.36
BTK Q06187 2/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
PARP1 P09874 2/20 0.34
DPP4 P27487 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
IDO1 P14902 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
SCHEMBL30158862 0.90 USP30 (0.44) USP30SCN9ARIPK1BTKDPP4
SCHEMBL30159021 0.89 USP30 (0.41) USP30SCN9ARIPK1BTKBCL2
SCHEMBL30158853 0.89 USP30 (0.41) USP30SCN9ARIPK1BCL2BCL2L1
SCHEMBL30159032 0.89 USP30 (0.41) USP30SCN9ARIPK1BTKBCL2
SCHEMBL30159196 0.89 USP30 (0.41) USP30SCN9ARIPK1BTKBCL2
SCHEMBL30158988 0.88 USP30 (0.40) USP30SCN9ARIPK1BTKBCL2
SCHEMBL30159174 0.88 USP30 (0.40) USP30SCN9ARIPK1BCL2BCL2L1
SCHEMBL30159064 0.88 USP30 (0.40) USP30SCN9ARIPK1BCL2BCL2L1
SCHEMBL23970930 0.88 USP30 (0.45) USP30SCN9ARIPK1BTKPARP1
SCHEMBL28964595 0.85 USP30 (0.48) USP30SCN9ARIPK1BTKDPP4

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 5 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
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN 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 USP30 967/4885SCN9A 4219/4885RIPK1 1233/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 USP30 967/4885SCN9A 4219/4885RIPK1 1233/4885

“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.