SCHEMBL22364433

SCHEMBL22364433

[CH2][C@H]1OC[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.32
CA4 P22748 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CA6 P23280 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
ACHE P22303 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL20217971 0.77 CA1 (0.33) CA1CA2CA9CA12CA4
SCHEMBL24565310 0.77 CA1 (0.33) CA1CA2CA9CA12CA4
SCHEMBL3872664 0.76 CA2 (0.39) CA1CA2CA9CA12CA4
SCHEMBL13298724 0.76 CA1 (0.36) CA1CA2CA9CA12CA4
SCHEMBL7155857 0.76 CA2 (0.39) CA1CA2CA9CA12CA4
SCHEMBL25381577 0.76 CA1 (0.36) CA1CA2CA9CA12CA4
SCHEMBL13318313 0.76 CA1 (0.36) CA1CA2CA9CA12CA4
SCHEMBL24087875 0.76 CA2 (0.39) CA1CA2CA9CA12CA4
SCHEMBL6274588 0.76 CA1 (0.34) CA1CA2CA9CA12CA4
SCHEMBL6932666 0.76 CA1 (0.36) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618731-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-01 US disclosed
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 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 (3 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-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 CA1 1489/4885CA2 1661/4885CA9 622/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 CA1 1489/4885CA2 1661/4885CA9 622/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 CA1 1489/4885CA2 1661/4885CA9 622/4885

“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.