SCHEMBL2837981

SCHEMBL2837981

Cn1cc(CC(NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ IDO1 P14902 2/20 0.55
▸ CTSS P25774 5/20 0.52
▸ CTSK P43235 5/20 0.52
▸ ACE P12821 2/20 0.51
▸ ADAM17 P78536 2/20 0.50
▸ SCN9A Q15858 1/20 0.48
▸ CTSL P07711 2/20 0.47
▸ PPARA Q07869 3/20 0.47
▸ PPARG P37231 2/20 0.47

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
SCHEMBL3013449 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29633813 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2837978 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29809224 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23587982 0.96 IDO1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18396013 0.96 IDO1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23677933 0.96 IDO1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24445141 0.92 ACE (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18394929 0.92 ACE (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18396391 0.92 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438321-B Tryptophan derivative and preparation method and application thereof 南京友怡医药科技有限公司 2021-12-17 — — CN claimed
CN-109438321-A A kind of tryptophan derivative and its preparation method and application 南京友怡医药科技有限公司 2019-03-08 — — CN claimed
US-20240209010-A1 PRODRUGS OF AZO COMPOUNDS AND THEIR SALTS AMNEAL PHARMACEUTICALS LLC 2024-06-27 — — US disclosed
EP-4297755-A1 PRODRUGS OF AZO COMPOUNDS AND THEIR SALTS Kashiv Biosciences, LLC (US) 2024-01-03 — — EP disclosed
CN-117337181-A Prodrugs of azo compounds and salts thereof 卡希夫生物科学有限公司 2024-01-02 — — CN disclosed
WO-2023211930-A1 DUAL FUNCTIONING IMMUNE MODULATING COMPOUNDS, FORMULATIONS, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-11-02 — — WO disclosed
US-20230036412-A1 PEGYLATED ICD INDUCER-IDO INHIBITOR NANOCONJUGATE, AND PREPARATION METHOD AND USE THEREOF SHANDONG UNIVERSITY (CN) 2023-02-02 — — US disclosed
EP-3954369-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN Lumos Pharma, Inc. (US) 2022-02-16 — — EP disclosed
CN-109438321-B Tryptophan derivative and preparation method and application thereof 南京友怡医药科技有限公司 2021-12-17 — — CN disclosed
EP-3324958-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2021-07-28 — — EP disclosed
CN-109438321-A A kind of tryptophan derivative and its preparation method and application 南京友怡医药科技有限公司 2019-03-08 — — CN disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 — — EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 — — WO disclosed
CN-101094861-A Agonists and antagonists of the somatostatin receptor NOVARTIS AG (CH) 2007-12-26 — — CN disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 — — US disclosed
EP-1200432-B1 AMIDO SPIROPIPERIDINES PROMOTE THE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2004-05-12 — — EP disclosed
EP-1200432-A4 AMIDO SPIROPIPERIDINES PROMOTE THE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2003-01-29 — — EP disclosed
US-6420376-B1 Amido spiropiperidines promote the release of growth hormone MERCK & CO., INC. 2002-07-16 — — US disclosed
EP-1200432-A1 AMIDO SPIROPIPERIDINES PROMOTE THE RELEASE OF GROWTH HORMONE Merck & Co., Inc. (US) 2002-05-02 — — EP disclosed
WO-2001004119-A1 AMIDO SPIROPIPERIDINES PROMOTE THE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 2001-01-18 — — 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 (3 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC3 2/4885HDAC4 7/4885HDAC1 1/4885
US-20240209010-A1 PRODRUGS OF AZO COMPOUNDS AND THEIR SALTS CYP11B1, CYP2C19, CYP11B2 HDAC3 951/4885HDAC4 1144/4885HDAC1 655/4885
US-20230036412-A1 PEGYLATED ICD INDUCER-IDO INHIBITOR NANOCONJUGATE, AND PREPARATION METHOD AND USE THEREOF IDO1, IDO2, CD274 HDAC3 3140/4885HDAC4 4268/4885HDAC1 2408/4885

“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.

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