SCHEMBL660787

SCHEMBL660787

NC(=O)C(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
ALDH1A1 P00352 2/20 0.57
FFAR1 O14842 2/20 0.57
PLAAT5 Q96KN8 4/20 0.56
PLAAT4 Q9UL19 4/20 0.56
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52

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
SCHEMBL4279627 0.86 KEAP1 (0.73) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL13286585 0.86 MAPT (0.63) PLAAT5PLAAT4HDAC2HDAC8HDAC6
SCHEMBL10095118 0.84 MAPT (0.67) PLAAT5PLAAT4HDAC2HDAC8HDAC6
SCHEMBL2593 0.82 KEAP1 (0.67) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL29078123 0.82 KEAP1 (0.67) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL258545 0.82 KEAP1 (0.67) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL14889611 0.81 ALDH1A1 (0.67) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL27659975 0.80 KEAP1 (0.53) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
Hydrochloric Acid SCHEMBL3308277 0.80 KEAP1 (0.64) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
Hydrochloric Acid SCHEMBL6952080 0.80 KEAP1 (0.64) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
EP-3221298-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 Takeda Pharmaceutical Company Limited (JP) 2017-09-27 EP disclosed
WO-2016081736-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-26 WO disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
EP-1206241-A1 METHODS OF LIGHTENING KERATINOUS TISSUE BY TOPICAL APPLICATION OF OXIME COMPOUND CONTAINING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-05-22 EP disclosed
WO-2001013882-A1 METHODS OF LIGHTENING KERATINOUS TISSUE BY TOPICAL APPLICATION OF OXIME COMPOUND CONTAINING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-03-01 WO disclosed
US-5348944-A Hypotensive agents SCHERING CORPORATION (US) 1994-09-20 US disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 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 (7 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 KEAP1 119/4885ALDH1A1 1104/4885FFAR1 4294/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 KEAP1 144/4885ALDH1A1 968/4885FFAR1 912/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 KEAP1 119/4885ALDH1A1 1104/4885FFAR1 4294/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 KEAP1 144/4885ALDH1A1 968/4885FFAR1 912/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 KEAP1 110/4885ALDH1A1 1173/4885FFAR1 978/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 KEAP1 119/4885ALDH1A1 1104/4885FFAR1 4294/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 KEAP1 144/4885ALDH1A1 968/4885FFAR1 912/4885

“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.