SCHEMBL3865572

SCHEMBL3865572

COC(=O)C(=O)CC(=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.63
ALDH1A1 P00352 3/20 0.60
PLOD3 O60568 1/20 0.56
PLOD1 Q02809 1/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
THRB P10828 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
APP P05067 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 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
SCHEMBL2819978 0.86 PLOD2 (0.58) PLOD2ALDH1A1PLOD3PLOD1KMT2A
SCHEMBL82139 0.83 PLOD2 (0.67) PLOD2ALDH1A1PLOD3PLOD1KMT2A
SCHEMBL30489909 0.83 PLOD2 (0.67) PLOD2ALDH1A1PLOD3PLOD1KMT2A
SCHEMBL29554726 0.82 PLOD2 (0.89) PLOD2ALDH1A1PLOD3PLOD1KMT2A
SCHEMBL10320930 0.82 PLOD2 (0.89) PLOD2ALDH1A1PLOD3PLOD1KMT2A
Hydrochloric Acid SCHEMBL6946997 0.82 PLOD2 (0.65) PLOD2ALDH1A1PLOD3PLOD1KMT2A
SCHEMBL21828675 0.82 PLOD2 (0.56) PLOD2ALDH1A1PLOD3PLOD1KMT2A
SCHEMBL21828681 0.82 PLOD2 (0.56) PLOD2ALDH1A1PLOD3PLOD1KMT2A
SCHEMBL1062957 0.80 PLOD2 (0.56) PLOD2ALDH1A1PLOD3PLOD1KMT2A
SCHEMBL30489910 0.80 PLOD2 (0.71) PLOD2ALDH1A1PLOD3PLOD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421210-B2 Fused bicyclic heterocycles as therapeutic agents NEW YORK UNIVERSITY (US) 2025-09-23 US disclosed
EP-3856735-B1 FUSED BICYCLIC HETEROCYCLES AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-09-06 EP disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
US-20210395222-A1 Fused Bicyclic Heterocycles as Therapeutic Agents NEW YORK UNIVERSITY 2021-12-23 US disclosed
EP-3856735-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS New York University (US) 2021-08-04 EP disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 US disclosed
EP-1534683-A4 CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-08-24 EP disclosed
EP-1534683-A2 CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-01 EP disclosed
US-20040053985-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. 2004-03-18 US disclosed
WO-2004002409-A2 CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-01-08 WO disclosed
US-4315932-A AND SULFANILAMIDES BURROUGHS WELLCOME CO. (US) 1982-02-16 US disclosed
EP-0000541-B1 1H-PYRIMIDO-(4,5-C)-1,2-DIAZEPINES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM; THEIR USE AS INTERMEDIATES FOR HETEROCYCLIC TRANSFORMATIONS. THE WELLCOME FOUNDATION LIMITED (GB) 1982-02-03 EP disclosed
US-4288365-A 1H-PYRIMIDO(4,5-C)-1,2-DIAZEPINES BURROUGHS WELLCOME CO. (US) 1981-09-08 US disclosed
US-4260758-A MICROBIOCIDES BURROUGHS WELLCOME CO. (US) 1981-04-07 US disclosed
US-4237289-A MICROBIOCIDES BURROUGHS WELLCOME CO. (US) 1980-12-02 US disclosed
EP-0000541-A2 1H-Pyrimido-(4,5-c)-1,2-diazepines, methods for their preparation and compositions containing them; their use as intermediates for heterocyclic transformations. THE WELLCOME FOUNDATION LIMITED (GB) 1979-02-07 EP 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 (6 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-20040053985-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 PLOD2 1406/4885ALDH1A1 638/4885PLOD3 3916/4885
US-12421210-B2 Fused bicyclic heterocycles as therapeutic agents NAMPT, NQO1, NAPRT PLOD2 4301/4885ALDH1A1 1562/4885PLOD3 2309/4885
US-20210395222-A1 Fused Bicyclic Heterocycles as Therapeutic Agents NAMPT, NQO1, NAPRT PLOD2 4301/4885ALDH1A1 1562/4885PLOD3 2309/4885
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 PLOD2 3999/4885ALDH1A1 4068/4885PLOD3 2301/4885
US-11078170-B2 Cyclic sulfamide compounds and methods of using same HCCS, HAVCR2, SLC10A1 PLOD2 3999/4885ALDH1A1 4068/4885PLOD3 2301/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 PLOD2 3999/4885ALDH1A1 4068/4885PLOD3 2301/4885

“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.