SCHEMBL4693101

SCHEMBL4693101

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CTSK P43235 4/20 0.33
CA14 Q9ULX7 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DGAT1 O75907 1/20 0.31
CTSD P07339 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
ASGR1 P07306 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
SCHEMBL22814762 0.90 HDAC6 (0.39) HDAC6HDAC1HDAC2CTSKCA14
SCHEMBL27162745 0.90 HDAC6 (0.36) HDAC6HDAC1HDAC2CTSKCA14
SCHEMBL111602 0.83 CA14 (0.40) HDAC6HDAC1HDAC2CTSKCA14
SCHEMBL2622073 0.81 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL499275 0.81 HDAC6 (0.38) HDAC6HDAC1HDAC2CTSKCA14
SCHEMBL3752709 0.79 HDAC6 (0.40) HDAC6HDAC1HDAC2CTSKCA14
SCHEMBL2525841 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14
SCHEMBL5765810 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC2CTSKCA14
SCHEMBL14360869 0.78 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL7106544 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2CTSKCA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655300-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Epirium Bio Inc. (US) 2025-12-03 EP disclosed
WO-2024158929-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO INC. (US) 2024-08-02 WO disclosed
US-20240208986-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
EP-4329765-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022231927-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed
US-20120184482-A1 Novel Ubiquitin-Isopeptide Probes HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2012-07-19 US disclosed
EP-1501803-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-08-13 EP disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-04-27 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 (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-20120184482-A1 Novel Ubiquitin-Isopeptide Probes USP16, UCHL5, UCHL3 HDAC6 1077/4885HDAC1 2729/4885HDAC2 3583/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 HDAC6 1582/4885HDAC1 1096/4885HDAC2 1711/4885
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity CCR2, CCR5, CCR1 HDAC6 1869/4885HDAC1 1183/4885HDAC2 1747/4885
US-20240208986-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF RIPK1, RIPK2, RIPK4 HDAC6 1204/4885HDAC1 818/4885HDAC2 1760/4885

“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.