SCHEMBL3752709

SCHEMBL3752709

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA14 Q9ULX7 2/20 0.35
DGAT1 O75907 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CTSK P43235 4/20 0.31
CPB2 Q96IY4 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
SCHEMBL5051893 0.89 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL30772730 0.87 CA14 (0.39) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL30324896 0.85 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL13109092 0.85 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL2526136 0.82 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL380577 0.82 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL24714957 0.79 CA14 (0.39) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL30020941 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL4693101 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL12326931 0.78 CA14 (0.41) HDAC6HDAC1HDAC2CA14CA12

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
EP-4247492-A1 MALT-1 MODULATORS Exscientia Al Limited (GB) 2023-09-27 EP disclosed
WO-2022106857-A1 MALT-1 MODULATORS Exscientia Limited (GB) 2022-05-27 WO disclosed
US-9079877-B2 Process for preparing chiral compounds PFIZER INC. (US) 2015-07-14 US disclosed
US-9079877-B2 Process for preparing chiral compounds PFIZER INC. (US) 2015-07-14 US disclosed
EP-2532660-B1 Process for preparing chiral compounds PFIZER PROD INC (US) 2014-09-10 EP disclosed
US-20140187794-A1 Process for Preparing Chiral Compounds PFIZER INC. (US) 2014-07-03 US disclosed
US-20140187794-A1 Process for Preparing Chiral Compounds PFIZER INC. (US) 2014-07-03 US disclosed
US-8642783-B2 Process for preparing chiral compounds PFIZER INC. (US) 2014-02-04 US disclosed
US-8642783-B2 Process for preparing chiral compounds PFIZER INC. (US) 2014-02-04 US disclosed
EP-2532660-A1 Synthetic intermediates prepared using a 2-deoxyribose-5-phosphate aldolase (DERA) chemoenzymatic process Pfizer Products Inc. (US) 2012-12-12 EP disclosed
US-20110118476-A1 Process for Preparing Chiral Compounds PFIZER INC. 2011-05-19 US disclosed
US-20110118476-A1 Process for Preparing Chiral Compounds PFIZER INC. 2011-05-19 US disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
WO-2009019561-A2 PROCESS FOR PREPARING CHIRAL COMPOUNDS PFIZER PRODUCTS INC. (US) 2009-02-12 WO disclosed
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 US disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 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 (5 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-20140187794-A1 Process for Preparing Chiral Compounds DERA, ALDOA, DPYD HDAC6 4618/4885HDAC1 4526/4885HDAC2 3766/4885
US-20110118476-A1 Process for Preparing Chiral Compounds DERA, ALDOA, DPYD HDAC6 4618/4885HDAC1 4526/4885HDAC2 3766/4885
US-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 HDAC6 675/4885HDAC1 348/4885HDAC2 741/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 HDAC6 3753/4885HDAC1 2154/4885HDAC2 1785/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 HDAC6 2099/4885HDAC1 967/4885HDAC2 2184/4885

“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.