SCHEMBL21366048

SCHEMBL21366048

CC(C)(C)OC(=O)N[C@H](C(=O)OCCl)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CYP2D6 P10635 1/20 0.43
CTSK P43235 10/20 0.41
CTSS P25774 5/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL21974629 1.00 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL28058637 0.84 CYP1A2 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL21974625 0.84 CYP1A2 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL21974624 0.83 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL32664755 0.82 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL26532366 0.82 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL7818885 0.82 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL17586869 0.82 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL32664612 0.82 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL3180779 0.81 CTSK (0.54) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 EP disclosed
US-11547698-B2 Aryl hydrocarbon receptor modulators ARIAGEN, INC. (US) 2023-01-10 US 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-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR PHARMACEUTICALS, INC. 2019-10-31 US disclosed
US-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-10-10 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-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-09-19 US 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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 CA1 2748/4885CA2 1540/4885CA7 2031/4885
US-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME HCAR1, HCAR2, MCCC2 CA1 91/4885CA2 226/4885CA7 7/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 CA1 4629/4885CA2 3608/4885CA7 3454/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 CA1 3103/4885CA2 1771/4885CA7 2457/4885
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SOAT1, SLC7A1, ODC1 CA1 2120/4885CA2 3127/4885CA7 466/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 CA1 4629/4885CA2 3608/4885CA7 3454/4885

“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.