SCHEMBL21089840

SCHEMBL21089840

CC(C)(C)OC(=O)NCCCOc1cccc(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
PDK2 Q15119 1/20 0.49
SUCNR1 Q9BXA5 2/20 0.48
EGFR P00533 2/20 0.47
ITK Q08881 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDO1 P14902 1/20 0.46

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
SCHEMBL17974300 0.96 CA12 (0.54) CA12CA1CA2CA9PDK2
SCHEMBL14771916 0.90 KDM4E (0.56) CA12CA1CA2CA9PDK2
SCHEMBL18551719 0.88 CA12 (0.53) CA12CA1CA2CA9PDK2
SCHEMBL2610727 0.87 CA12 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL28030326 0.87 CA12 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL3980344 0.87 CA12 (0.52) CA12CA1CA2CA9PDK2
SCHEMBL2207089 0.87 MTNR1A (0.51) CA12CA1CA2CA9PDK2
SCHEMBL18295383 0.86 CA1 (0.54) CA12CA1CA2CA9PDK2
SCHEMBL17974302 0.85 CA12 (0.53) CA12CA1CA2CA9PDK2
SCHEMBL15075255 0.85 POLB (0.57) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689661-B Macrocyclic inhibitors of myeloperoxidase 百时美施贵宝公司 2021-10-15 CN disclosed
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 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 (2 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-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CA12 3140/4885CA1 2716/4885CA2 3814/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CA12 3140/4885CA1 2716/4885CA2 3814/4885

“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.