SCHEMBL28840263

SCHEMBL28840263

CO[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 1/20 0.43
GRIN2B Q13224 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
STS P08842 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PARP1 P09874 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL376172 1.00 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28542087 1.00 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL20121078 1.00 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13315211 0.92 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL19918950 0.92 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388396 0.92 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1355893 0.92 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388401 0.92 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL30060223 0.91 PDE4B (0.59) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL7498881 0.91 PDE4B (0.59) PDE4BSMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240862-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2025-03-04 US disclosed
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP 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-4267587-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES Gilead Sciences, Inc. (US) 2023-11-01 EP 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
CN-109069869-B Bicyclic PAD4 inhibitors 帕德罗科治疗公司 2022-09-13 CN disclosed
US-20220227787-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2022-07-21 US disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 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 (4 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 PDE4B 61/4885SMN1; SMN2 2054/4885NPC1 3253/4885
US-20220227787-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 PDE4B 43/4885SMN1; SMN2 3144/4885NPC1 3533/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 PDE4B 61/4885SMN1; SMN2 2054/4885NPC1 3253/4885
US-12240862-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 PDE4B 61/4885SMN1; SMN2 2054/4885NPC1 3253/4885

“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.