SCHEMBL23219874

SCHEMBL23219874

OB1OCCc2ccc(F)cc21

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.58
CA2 P00918 9/20 0.58
CA9 Q16790 8/20 0.58
CA12 O43570 7/20 0.58
PDE3A Q14432 1/20 0.54
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CA4 P22748 3/20 0.39
CA7 P43166 1/20 0.36

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
SCHEMBL500220 0.87 CA1 (0.71) CA1CA2CA9CA12PDE3A
SCHEMBL5583179 0.87 CA1 (0.71) CA1CA2CA9CA12PDE3A
SCHEMBL5583464 0.81 CA1 (0.73) CA1CA2CA9CA12PDE3A
SCHEMBL499993 0.81 CA1 (0.73) CA1CA2CA9CA12PDE3A
SCHEMBL20788610 0.80 CA1 (0.59) CA1CA2CA9CA12PDE3A
SCHEMBL12317636 0.79 CA1 (0.69) CA1CA2CA9CA12CA4
SCHEMBL19851265 0.79 CA1 (0.58) CA1CA2CA9CA12PDE4A
Hydrochloric Acid SCHEMBL19838208 0.77 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL12317638 0.77 ALDH1A1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL12317843 0.77 CA1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase THE PENN STATE RESEARCH FOUNDATION (US) 2021-04-13 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 (1 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-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase PTPRO, PTPRR, PPP1R1B CA1 1591/4885CA2 478/4885CA9 1683/4885

“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.