SCHEMBL22555094

SCHEMBL22555094

O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
AGTR2 P50052 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
SCHEMBL4040776 1.00 PREP (0.39) PREPMEN1KMT2ATDP1CHRM2
SCHEMBL993595 1.00 PREP (0.39) PREPMEN1KMT2ATDP1CHRM2
SCHEMBL4663681 1.00 PREP (0.39) PREPMEN1KMT2ATDP1CHRM2
SCHEMBL4039208 0.86 PREP (0.38) PREPMEN1KMT2ATDP1CHRM2
SCHEMBL19083691 0.84 PREP (0.40) PREPMEN1KMT2ATDP1CHRM2
SCHEMBL27207857 0.80 PREP (0.35) PREP
SCHEMBL19075578 0.80 PREP (0.43) PREPMEN1KMT2ATDP1CHRM2
SCHEMBL19075817 0.80 PREP (0.43) PREPMEN1KMT2ATDP1CHRM2
SCHEMBL11153522 0.78 PREP (0.44) PREPMEN1KMT2AAGTR2
SCHEMBL18829248 0.77 TDP1 (0.46) PREPMEN1KMT2ATDP1CHRM2

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 13 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
US-11878965-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-01-23 US disclosed
EP-4267587-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES Gilead Sciences, Inc. (US) 2023-11-01 EP disclosed
EP-4267562-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-11-01 EP disclosed
US-20230090053-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-03-23 US disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20220227787-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2022-07-21 US disclosed
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO 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
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US 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 (7 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-20230090053-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 PREP 453/4885MEN1 2517/4885KMT2A 1652/4885
US-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PREP 1910/4885MEN1 348/4885KMT2A 2081/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 PREP 453/4885MEN1 2517/4885KMT2A 1652/4885
US-20220227787-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 PREP 482/4885MEN1 2927/4885KMT2A 1657/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PREP 1910/4885MEN1 348/4885KMT2A 2081/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 PREP 453/4885MEN1 2517/4885KMT2A 1652/4885
US-11878965-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 PREP 453/4885MEN1 2517/4885KMT2A 1652/4885

“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.