Sugi Predict

Sugi Predict / Compounds / SCHEMBL3013449

SCHEMBL3013449

SCHEMBL3013449

Cn1cc(C[C@H](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
SCHEMBL2837981 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209010-A1 PRODRUGS OF AZO COMPOUNDS AND THEIR SALTS AMNEAL PHARMACEUTICALS LLC 2024-06-27 — — US disclosed
US-20240209010-A1 PRODRUGS OF AZO COMPOUNDS AND THEIR SALTS AMNEAL PHARMACEUTICALS LLC 2024-06-27 — — US disclosed
US-11795196-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2023-10-24 — — US disclosed
WO-2022035843-A1 TOPOISOMERASE INHIBITORS NANOMEDICINE INNOVATION CENTER, LLC (US) 2022-02-17 — — WO disclosed
WO-2016133913-A1 FLUORESCENTLY LABELED MOLECULES CONTAINING MODIFIED TRYPTOPHAN SEED RESEARCH AND DEVELOPMENT LLC (US) 2016-08-25 — — WO disclosed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 — — EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 — — US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 — — US 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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 — — US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 — — WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 — — WO 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
WO-1996011927-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-04-25 — — WO disclosed
WO-1995008550-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1995-03-30 — — 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-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-11795196-B2 Mitochondria-targeting peptides HSPE1, TFAM, TNNI3 HDAC3 3458/4885HDAC4 3925/4885HDAC1 3770/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 HDAC3 1310/4885HDAC4 2106/4885HDAC1 1653/4885

“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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