SCHEMBL166207

SCHEMBL166207

[CH2]CCCNC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA12 O43570 6/20 0.53
CA9 Q16790 6/20 0.53
EPHX1 P07099 1/20 0.45
HTT P42858 1/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL3475950 0.94 TDP1 (0.68) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7080001 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10431151 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7081323 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1263135 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7074276 0.92 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL166624 0.88 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.87 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.87 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5474431 0.86 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276411-B Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2024-02-09 CN claimed
CN-116919966-A Application of piperazinone hydroxy pyridone compounds in preparation of medicines for treating herpes simplex virus 浙江大学 2023-10-24 CN claimed
CN-114685608-A Cyclic peptide compound containing trithioether bond or derivative thereof, and synthetic method and application thereof 北京大学深圳研究生院 2022-07-01 CN claimed
CN-114276411-A Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2022-04-05 CN claimed
US-20210130315-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-05-06 US claimed
CN-111757880-A Method for synthesizing cyclic depsipeptides 拜耳动物保健有限责任公司 2020-10-09 CN claimed
EP-3676265-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES Bayer Animal Health GmbH (DE) 2020-07-08 EP claimed
EP-3480195-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES Bayer Animal Health GmbH (DE) 2019-05-08 EP claimed
US-8859581-B2 Azaheterocyclic compounds as kinase inhibitors MERCK PATENT GMBH (DE) 2014-10-14 US claimed
EP-1874769-B1 NOVEL AZA- HETEROCYCLES SERVING AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-09-14 EP claimed
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US claimed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP claimed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO claimed
US-5571793-A COMBATTING ENDOPARASITES IN HUMANS OR ANIMALS BY ADMINISTERING PEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US claimed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO claimed
EP-0236872-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1992-11-25 EP claimed
US-4996358-A Control, prevention rheumatic diseases HOFFMANN-LA ROCHE INC. (US) 1991-02-26 US claimed
EP-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 EP claimed
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 US claimed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20210130315-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES DNPEP, NPEPPS, PREP TDP1 1352/4885MEN1 364/4885GAA 1311/4885

“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.