Sugi Predict

Sugi Predict / Compounds / SCHEMBL2819978

SCHEMBL2819978

SCHEMBL2819978

CCOC(=O)C(=O)CC(=O)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 2/20 0.58
▸ PLOD3 O60568 1/20 0.52
▸ PLOD1 Q02809 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46

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
SCHEMBL3865572 0.86 PLOD2 (0.63) PLOD2PLOD3PLOD1ALDH1A1MAPT
SCHEMBL81386 0.85 PLOD2 (0.61) PLOD2PLOD3PLOD1ALDH1A1MAPT
SCHEMBL27707409 0.83 PLOD2 (0.52) PLOD2PLOD3PLOD1ALDH1A1MAPT
SCHEMBL3539766 0.82 POLB (0.53) ALDH1A1MAPTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL5113226 0.82 ALDH1A1 (0.52) PLOD2PLOD3PLOD1ALDH1A1MAPT
SCHEMBL3218011 0.81 KMT2A (0.57) ALDH1A1MAPTTP53SMN1; SMN2MAPK1
SCHEMBL1694620 0.81 ALDH1A1 (0.52) PLOD2PLOD3PLOD1ALDH1A1MAPT
SCHEMBL7661524 0.81 PLOD2 (0.56) PLOD2PLOD3PLOD1ALDH1A1MAPT
SCHEMBL70968 0.81 ERCC5 (0.58) ALDH1A1MAPTSMN1; SMN2MAPK1POLB
SCHEMBL31412561 0.81 ALDH1A1 (0.49) ALDH1A1MAPTTP53SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905123-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-02-02 — — US disclosed
US-10905123-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-02-02 — — US disclosed
CN-107250127-B Herbicidal compounds 先正达参股股份有限公司 2020-11-24 — — CN disclosed
US-20180027815-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-01 — — US disclosed
US-20180027815-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-01 — — US disclosed
US-20180027815-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-01 — — US disclosed
EP-3255989-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2017-12-20 — — EP disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 — — US disclosed
WO-2016128266-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-18 — — WO disclosed
WO-2016128266-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-18 — — WO disclosed
US-8809547-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2014-08-19 — — US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 — — US disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 — — WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 — — WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 — — US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 — — US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 — — US disclosed
US-4735957-A ANTIULCER AGENTS, CARDIOTONIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 — — US disclosed
US-4649146-A ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 — — US disclosed
EP-0117082-A2 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-29 — — 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 (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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PLOD2 736/4885PLOD3 2669/4885PLOD1 1045/4885
US-20110212949-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS PLOD2 1165/4885PLOD3 2739/4885PLOD1 1487/4885
US-20180027815-A1 HERBICIDAL COMPOUNDS DDT, HPD, PDXK PLOD2 607/4885PLOD3 1907/4885PLOD1 633/4885
US-10905123-B2 Herbicidal compounds DDT, HPD, PDXK PLOD2 607/4885PLOD3 1907/4885PLOD1 633/4885

“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.