SCHEMBL20936552

SCHEMBL20936552

CC(C)c1ccc2c(c1)B(O)OCC2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.53
CA2 P00918 8/20 0.53
CA9 Q16790 6/20 0.53
CA12 O43570 5/20 0.53
CA4 P22748 3/20 0.36
CA7 P43166 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL16379267 0.83 CA1 (0.57) CA1CA2CA9CA12CA4
SCHEMBL19851265 0.78 CA1 (0.58) CA1CA2CA9CA12CA4
SCHEMBL12318081 0.78 MAPT (0.48) CA1CA2CA9CA12
SCHEMBL20788610 0.76 CA1 (0.59) CA1CA2CA9CA12CA4
SCHEMBL23219874 0.75 CA1 (0.58) CA1CA2CA9CA12CA4
SCHEMBL12317636 0.75 CA1 (0.69) CA1CA2CA9CA12CA4
SCHEMBL24526218 0.74 CA1 (0.53) CA1CA2CA9CA12CA4
Hydrochloric Acid SCHEMBL19838208 0.73 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL17721657 0.73 CA1 (0.57) CA1CA2CA9CA12CA4
SCHEMBL18362459 0.73 CA1 (0.54) 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-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2023-11-28 US disclosed
US-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2023-11-28 US disclosed
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BORAH, INC. 2022-06-23 US disclosed
WO-2019079357-A1 TNIK MODULATORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2019-04-25 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 (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-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof JAK3, JAK1, JAK2 CA1 2675/4885CA2 1365/4885CA9 897/4885
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 CA1 2675/4885CA2 1365/4885CA9 897/4885

“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.