SCHEMBL21726685

SCHEMBL21726685

CO[C@]1(c2ccccc2)C[C@H](C(=O)Nc2cc(C(CCC3CC3)(NC(=O)C(C)(C)C)c3ccccn3)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.63
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BDKRB1 P46663 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL28721887 0.90 KLKB1 (0.61) KLKB1MEN1KMT2ABDKRB1
SCHEMBL21726675 0.90 KLKB1 (0.61) KLKB1MEN1KMT2ABDKRB1
SCHEMBL20446637 0.90 KLKB1 (0.61) KLKB1MEN1KMT2ABDKRB1
SCHEMBL29581006 0.90 KLKB1 (0.61) KLKB1MEN1KMT2ABDKRB1
SCHEMBL24012283 0.89 KLKB1 (0.77) KLKB1
SCHEMBL20584380 0.85 KLKB1 (0.60) KLKB1MEN1KMT2APOLBBDKRB1
SCHEMBL31456811 0.83 KLKB1 (0.64) KLKB1BDKRB1
SCHEMBL22686018 0.83 KLKB1 (0.54) KLKB1MEN1KMT2ALMNANPSR1
SCHEMBL20446591 0.83 KLKB1 (0.54) KLKB1MEN1KMT2ALMNANPSR1
SCHEMBL28721676 0.83 KLKB1 (0.54) KLKB1MEN1KMT2ALMNANPSR1

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-10562850-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-02-18 — — 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-10562850-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885MEN1 380/4885KMT2A 1455/4885

“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.

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