SCHEMBL25307386

SCHEMBL25307386

CC(C)(C)OC(=O)Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.61
CARM1 Q86X55 4/20 0.56
F2 P00734 1/20 0.51
F10 P00742 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51

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
SCHEMBL29826019 0.89 KLKB1 (0.68) KLKB1CARM1
SCHEMBL17064709 0.89 KLKB1 (0.68) KLKB1CARM1
SCHEMBL31067474 0.85 KLKB1 (0.84) KLKB1CARM1
SCHEMBL17064713 0.85 KLKB1 (0.84) KLKB1CARM1
SCHEMBL28111097 0.84 KLKB1 (0.59) KLKB1CARM1
SCHEMBL17064626 0.83 KLKB1 (0.69) KLKB1CARM1
SCHEMBL14565461 0.81 CARM1 (0.86) KLKB1CARM1
SCHEMBL18604968 0.79 KLKB1 (0.89) KLKB1CARM1F2F10PRSS1
SCHEMBL31067583 0.79 KLKB1 (0.89) KLKB1CARM1F2F10PRSS1
SCHEMBL18604749 0.79 KLKB1 (0.72) KLKB1CARM1

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-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 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-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885CARM1 4304/4885F2 33/4885

“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.