Sugi Predict

Sugi Predict / Compounds / SCHEMBL723290

SCHEMBL723290

SCHEMBL723290

CC(N)C(=O)OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.47
▸ EPHX1 P07099 2/20 0.41
▸ NAAA Q02083 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MMP2 P08253 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ LAP3 P28838 1/20 0.34
▸ NPEPPS P55786 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ DPP4 P27487 2/20 0.33

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
SCHEMBL159982 1.00 CYP19A1 (0.47) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL13543466 1.00 CYP19A1 (0.47) CYP19A1EPHX1NAAAL3MBTL1HTT
Hydrochloric Acid SCHEMBL5281324 0.98 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
Hydrochloric Acid SCHEMBL20586240 0.98 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
Hydrochloric Acid SCHEMBL217045 0.98 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL770738 0.98 CYP19A1 (0.50) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL16373577 0.98 CYP19A1 (0.50) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL16554167 0.98 CYP19A1 (0.50) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL18630281 0.98 CYP19A1 (0.50) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL38556 0.98 CYP19A1 (0.50) CYP19A1EPHX1NAAAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849071-A antiviral β amino acid ester phosphorodiamidate compounds 默沙东公司 2018-03-27 — — CN claimed
EP-3334743-B1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-11-29 — — EP disclosed
EP-3334743-B1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-11-29 — — EP disclosed
EP-4209498-A1 4'-THIO-NUCLEOTIDE AND -NUCLEOSIDE PRODRUGS FOR THE TREATMENT OF CANCER Southern Research Institute (US) 2023-07-12 — — EP disclosed
US-20210363170-A1 4'-THIO-NUCLEOTIDE AND -NUCLEOSIDE PRODRUGS FOR THE TREATMENT OF CANCER SOUTHERN RESEARCH INSTITUTE 2021-11-25 — — US disclosed
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 — — US disclosed
CN-112584839-A Base-modified cytidine nucleotides for leukemia therapy 美迪维尔公司 2021-03-30 — — CN disclosed
CN-112513061-A 4' -thio-nucleotide and-nucleoside prodrugs for the treatment of cancer 南方研究院 2021-03-16 — — CN disclosed
EP-3781584-A1 4'-THIO-NUCLEOTIDE AND -NUCLEOSIDE PRODRUGS FOR THE TREATMENT OF CANCER Southern Research Institute (US) 2021-02-24 — — EP disclosed
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 — — EP disclosed
US-20140066398-A1 HCV POLYMERASE INHIBITORS MEDIVIR, AB (SE) 2014-03-06 — — US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 — — US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 — — US disclosed
WO-2013084165-A1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2013-06-13 — — WO disclosed
US-20130143835-A1 HCV Polymerase Inhibitors MEDIVIR AB (SE) 2013-06-06 — — US disclosed
CN-103068799-A Benzamide derivatives as HSP90 inhibitors and uses thereof CHROMA THERAPEUTICS LTD 2013-04-24 — — CN disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 — — US disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 — — EP disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 — — US disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 — — 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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP CYP19A1 4803/4885EPHX1 2345/4885NAAA 454/4885
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 CYP19A1 3648/4885EPHX1 4148/4885NAAA 2083/4885
US-20130143835-A1 HCV Polymerase Inhibitors POLI, HAVCR2, EIF2AK2 CYP19A1 2586/4885EPHX1 2369/4885NAAA 2679/4885
US-20210363170-A1 4'-THIO-NUCLEOTIDE AND -NUCLEOSIDE PRODRUGS FOR THE TREATMENT OF CANCER TPMT, MTAP, TYMP CYP19A1 1275/4885EPHX1 3453/4885NAAA 1459/4885
US-20140066398-A1 HCV POLYMERASE INHIBITORS POLI, HAVCR2, EIF2AK2 CYP19A1 2586/4885EPHX1 2369/4885NAAA 2679/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CYP19A1 547/4885EPHX1 1931/4885NAAA 361/4885

“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.