SCHEMBL3198212

SCHEMBL3198212

CC(C)(C)OC(=O)NCCC(=O)OCCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HIF1A Q16665 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
EPHX1 P07099 1/20 0.41
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 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
SCHEMBL2880171 0.90 TDP1 (0.54) TDP1GAAMEN1KMT2ACA12
SCHEMBL6939488 0.89 TDP1 (0.57) TDP1GAAMEN1KMT2ACA12
SCHEMBL423505 0.87 TDP1 (0.59) TDP1GAAMEN1KMT2ACA12
SCHEMBL21423964 0.87 TDP1 (0.59) TDP1GAAMEN1KMT2ACA12
SCHEMBL9677520 0.86 TDP1 (0.41) TDP1GAAMEN1KMT2ACA12
SCHEMBL23061330 0.85 TDP1 (0.42) TDP1GAAMEN1KMT2ACA12
SCHEMBL1784924 0.84 CTSK (0.51) TDP1GAAMEN1KMT2ACA12
SCHEMBL6939520 0.84 TDP1 (0.44) TDP1GAAMEN1KMT2ACA12
SCHEMBL21423607 0.84 TDP1 (0.53) TDP1GAAMEN1KMT2ACA12
SCHEMBL2799440 0.83 TDP1 (0.56) TDP1GAAMEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
EP-4041735-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS Biohaven Therapeutics Ltd. (US) 2022-08-17 EP disclosed
WO-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 WO disclosed
US-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME SEIKAGAKU CORPORATION (JP) 2021-01-21 US disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
WO-2019189876-A1 (CARBOXYLIC ACID-TYPE COMPOUND)-POLYMER CONJUGATE HAVING BIOLOGICAL ACTIVITY, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2019-10-03 WO disclosed
US-7674912-B2 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2010-03-09 US disclosed
EP-1877391-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. Lundbeck A/S (DK) 2008-01-16 EP disclosed
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-11-23 US disclosed
WO-2006114093-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-11-02 WO 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-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME HCAR1, HCAR2, MCCC2 TDP1 4178/4885GAA 46/4885MEN1 2134/4885
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SOAT1, SLC7A1, ODC1 TDP1 3454/4885GAA 3994/4885MEN1 236/4885
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA2B, ADORA1 TDP1 2150/4885GAA 2501/4885MEN1 1436/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 TDP1 134/4885GAA 44/4885MEN1 3340/4885

“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.