Sugi Predict

Sugi Predict / Compounds / SCHEMBL333966

SCHEMBL333966

SCHEMBL333966

CC(CC(=O)OC(C)(C)C)[C@H](N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SLC7A5 Q01650 3/20 0.40
▸ NOS1 P29475 2/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRIK1 P39086 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PTGS1 P23219 1/20 0.32

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
SCHEMBL4706239 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27419703 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13516847 0.83 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26767636 0.82 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26765471 0.82 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2392426 0.82 NOS1 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4297866 0.81 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27962069 0.81 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11402093 0.81 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16689176 0.81 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116270255-B High-adhesion composite sodium hyaluronate repair patch and preparation method thereof 哈尔滨运美达生物科技有限公司 2024-10-18 — — CN claimed
CN-116514679-A Palladium-catalyzed sp with low-cost and high-efficiency quaternary ammonium nitrate as oxidant 2 And sp (sp) 3 Carbon hydrogen bond alkenylation method 南京工业大学 2023-08-01 — — CN claimed
CN-116270255-A High-adhesion composite sodium hyaluronate repair patch and preparation method thereof 哈尔滨运美达生物科技有限公司 2023-06-23 — — CN claimed
CN-116041441-A Synthesis method of daptomycin 申联生物医药（上海）股份有限公司 2023-05-02 — — CN claimed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 — — US disclosed
EP-4204397-B1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR LASB HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-12-03 — — EP disclosed
US-12297226-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2025-05-13 — — US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 — — EP disclosed
WO-2025051241-A1 MACROCYCLIC COMPOUND AND ANTIBODY-DRUG CONJUGATE THEREOF 劲方医药科技(上海)股份有限公司 2025-03-13 — — WO disclosed
WO-2025039676-A1 PAN-KRAS PROTEIN TARGETED DEGRADER COMPOUND AND USE THEREOF 贝达药业股份有限公司 2025-02-27 — — WO disclosed
US-12215116-B2 Arginase inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-02-04 — — US disclosed
US-20240383942-A1 WATER-SOLUBLE ALLOPREGNANOLONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING MINOVA PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 — — US disclosed
US-4514332-A Tetrapeptide adamantyl amides G. D. SEARLE & CO. (US) 1985-04-30 — — US disclosed
US-4369178-A Glucosamine peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-18 — — US disclosed
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 — — EP disclosed
EP-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 — — EP disclosed
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 — — US disclosed
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 — — US disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 — — US disclosed
US-4028315-A Solid phase synthesis of peptides E. R. SQUIBB & SONS, INC. (US) 1977-06-07 — — 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 (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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CYP2D6 1377/4885HDAC3 1051/4885HDAC1 3148/4885
US-12297226-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, ACE CYP2D6 1594/4885HDAC3 1215/4885HDAC1 1247/4885
US-12215116-B2 Arginase inhibitors and methods of use ARG1, ARG2, PRMT1 CYP2D6 1257/4885HDAC3 973/4885HDAC1 152/4885
US-20240383942-A1 WATER-SOLUBLE ALLOPREGNANOLONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF HSD11B2, HSD11B1, CYP11B2 CYP2D6 87/4885HDAC3 438/4885HDAC1 260/4885

“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.