SCHEMBL221769

SCHEMBL221769

CC(C)(C)OC(=O)C(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
SLC7A5 Q01650 3/20 0.35
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
AAK1 Q2M2I8 1/20 0.31
LTA4H P09960 1/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GRIK1 P39086 1/20 0.31

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
SCHEMBL5209072 1.00 ALDH1A1 (0.39) ALDH1A1MAPTPTGS1KMT2AMEN1
SCHEMBL1353684 0.87 NOS1 (0.39) ALDH1A1MAPTPTGS1KMT2AMEN1
SCHEMBL5346485 0.81 MEN1 (0.35) KMT2AMEN1GAANOS1NOS3
SCHEMBL5409743 0.81 NOS1 (0.36) ALDH1A1MAPTPTGS1KMT2ANOS1
SCHEMBL16340968 0.81 NOS1 (0.39) ALDH1A1MAPTPTGS1KMT2ANOS1
SCHEMBL28113585 0.81 NOS1 (0.36) ALDH1A1MAPTPTGS1KMT2ANOS1
SCHEMBL3204138 0.79 SLC7A5 (0.42) ALDH1A1MAPTPTGS1KMT2AMEN1
SCHEMBL523836 0.79 DGAT1 (0.41) KMT2AMEN1GAANOS1NOS3
SCHEMBL27549577 0.79 NOS1 (0.35) KMT2ANOS1NOS3NOS2LMNA
SCHEMBL4106257 0.77 KMT2A (0.39) ALDH1A1MAPTPTGS1KMT2AMEN1

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 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021115188-A1 HISTONE DEACETYLASE, AND PROTEASOME DUAL-TARGET INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2021-06-17 WO claimed
CN-110950897-A Histone deacetylase, protease double-target inhibitor, preparation method and application thereof 山东大学 2020-04-03 CN claimed
US-12187816-B2 Macrocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2025-01-07 US disclosed
WO-2024255806-A1 PREPARATION AND USE OF HYDROGEL 粤港澳大湾区精准医学研究院(广州) 2024-12-19 WO disclosed
US-20240083922-A1 Proteasome Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-14 US disclosed
US-11833204-B2 Visible light-activatable nanoparticles for cancer immunotherapy and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-12-05 US disclosed
US-20230265110-A1 Proteasome Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-24 US disclosed
EP-4168121-A2 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2023-04-26 EP disclosed
US-11566039-B2 Lincosamide antibiotics and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-31 US disclosed
US-20220370611-A1 VISIBLE LIGHT-ACTIVATABLE NANOPARTICLES FOR CANCER IMMUNOTHERAPY AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-11-24 US disclosed
EP-3842430-B1 SET8 LYSINE METHYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF HAINAN YILING MEDICAL IND & DEVELOPMENT CO LTD (CN) 2022-09-28 EP disclosed
WO-2000012587-A2 POLYAMIDE CHAINS OF PRECISE LENGTH, METHODS TO MANUFACTURE THEM AND THEIR CONJUGATES GRYPHON SCIENCES (US) 2000-03-09 WO disclosed
US-5994350-A CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; RESPIRATORY SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 1999-11-30 US disclosed
CN-1202886-A 3-spiroindolin-2-one derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI CO (FR) 1998-12-23 CN disclosed
EP-0873309-A1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI (FR) 1998-10-28 EP disclosed
US-5633270-A Thiazolidine derivatives, preparation thereof and drugs containing samem RHONE-POULENC RORER S.A. (FR) 1997-05-27 US disclosed
WO-1997015556-A1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI (FR) 1997-05-01 WO disclosed
WO-1994018230-A1 INHIBITION OF HIV REPLICATION BY PEPTIDE-COPPER COMPLEXES PROCYTE CORPORATION (US) 1994-08-18 WO disclosed
US-5045540-A Amide or urea compounds containing imidazole groups WARNER-LAMBERT CO. (US) 1991-09-03 US disclosed
US-5041552-A Treatment of hypertension, heart failure, glaucoma and hyperaldosteronism WARNER-LAMBERT COMPANY (US) 1991-08-20 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 (6 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-12187816-B2 Macrocyclic compounds and methods of use thereof PAICS, CYCS, LSS ALDH1A1 2370/4885MAPT 3722/4885PTGS1 2992/4885
US-20240083922-A1 Proteasome Inhibitors PSMB5, PSMG3, PSMB1 ALDH1A1 4093/4885MAPT 644/4885PTGS1 2574/4885
US-11833204-B2 Visible light-activatable nanoparticles for cancer immunotherapy and use thereof CD47, PDCD1, TP53 ALDH1A1 3091/4885MAPT 635/4885PTGS1 1612/4885
US-20220370611-A1 VISIBLE LIGHT-ACTIVATABLE NANOPARTICLES FOR CANCER IMMUNOTHERAPY AND USE THEREOF CD47, PDCD1, TP53 ALDH1A1 3091/4885MAPT 635/4885PTGS1 1612/4885
US-11566039-B2 Lincosamide antibiotics and uses thereof NPEPPS, ASNS, LNPEP ALDH1A1 2845/4885MAPT 2396/4885PTGS1 3910/4885
US-20230265110-A1 Proteasome Inhibitors PSMB5, PSMG3, PSMB1 ALDH1A1 4093/4885MAPT 644/4885PTGS1 2574/4885

“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.