SCHEMBL2622073

SCHEMBL2622073

C=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CA14 Q9ULX7 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6714665 0.90 HDAC6 (0.35) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL28234844 0.86 HDAC6 (0.33) HDAC6HDAC1HDAC2L3MBTL1DPP4
SCHEMBL26284156 0.85 HDAC6 (0.31) HDAC6
SCHEMBL28790852 0.84 HDAC6 (0.32) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL5754316 0.84 HDAC6 (0.35) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL956549 0.83 ALDH1A1 (0.42) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL12319215 0.83 CA14 (0.33) HDAC6CA14
SCHEMBL2411126 0.83 CA14 (0.33) HDAC6L3MBTL1CA14
SCHEMBL2754735 0.82 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL17162509 0.82 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281109-B2 Inhibitors of histone deacetylase-3 useful for the treatment of cancer, inflammation, neurodegeneration diseases and diabetes MERCK SHARP & DOHME LLC (US) 2025-04-22 US disclosed
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application Shanghai Pharmaceuticals Holding Cd., Ltd. (CN) 2023-02-14 US disclosed
US-20220177465-A1 INHIBITORS OF HISTONE DEACETYLASE-3 USEFUL FOR THE TREATMENT OF CANCER, INFLAMMATION, NEURODEGENERATION DISEASES AND DIABETES MERCK SHARP & DOHME CORP. (US) 2022-06-09 US disclosed
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-11-10 US disclosed
EP-3677583-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2020-07-08 EP disclosed
US-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-06-18 US disclosed
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2019-03-28 US disclosed
EP-3424928-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2019-01-09 EP disclosed
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-5723607-A Compounds useful as antiproliferative agents and GARFT inhibitors AGOURON PHARMACETICALS, INC. (US) 1998-03-03 US disclosed
EP-0783507-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1997-07-16 EP disclosed
US-5641774-A GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE INHIBITORS; ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-24 US disclosed
US-5641771-A FUSED AMIDINE-CONTAINING NITROGEN HETEROCYCLE COMPOUNDS AS ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-24 US disclosed
US-5639749-A INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE; ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-17 US disclosed
US-5639747-A INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE; ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-17 US disclosed
US-5625061-A GRAFT=GLYCINAMIDE RIBONCLEOTIDE FORMYL TRANSFERASE AGOURON PHARMACEUTICALS, INC. (US) 1997-04-29 US disclosed
US-5610319-A Compound useful as antiproliferative agents and GARFT inhibitors AGOURON PHARMACEUTICALS, INC. (US) 1997-03-11 US disclosed
US-5594139-A FROM 5-HAL-2,6-DIAMINO-3H-4-OXOPYRIMIDINE AGOURON PHARMACEUTICALS, INC. (US) 1997-01-14 US disclosed
WO-1996003407-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-08 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 (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-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION ERBB2, EGFR, ERBB4 HDAC6 1748/4885HDAC1 2674/4885HDAC2 2438/4885
US-12281109-B2 Inhibitors of histone deacetylase-3 useful for the treatment of cancer, inflammation, neurodegeneration diseases and diabetes HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC2 3/4885
US-20220177465-A1 INHIBITORS OF HISTONE DEACETYLASE-3 USEFUL FOR THE TREATMENT OF CANCER, INFLAMMATION, NEURODEGENERATION DISEASES AND DIABETES HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC2 3/4885
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 HDAC6 902/4885HDAC1 319/4885HDAC2 421/4885
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application ERBB2, EGFR, ERBB4 HDAC6 1774/4885HDAC1 2788/4885HDAC2 2462/4885
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE ERBB2, EGFR, ERBB4 HDAC6 1685/4885HDAC1 2517/4885HDAC2 1961/4885
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use ERBB2, EGFR, ERBB4 HDAC6 1685/4885HDAC1 2517/4885HDAC2 1961/4885

“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.