SCHEMBL18630201

SCHEMBL18630201

CC(C)(C)OC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2CO)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.52
TRPV1 Q8NER1 9/20 0.52
CARM1 Q86X55 10/20 0.52

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
SCHEMBL22967845 0.88 KLKB1 (0.54) KLKB1TRPV1CARM1
SCHEMBL22417061 0.86 CARM1 (0.59) KLKB1CARM1
SCHEMBL4586722 0.86 KLKB1 (0.64) KLKB1CARM1
SCHEMBL21919181 0.85 CARM1 (0.60) KLKB1CARM1
SCHEMBL21100670 0.85 KLKB1 (0.56) KLKB1CARM1
SCHEMBL5698238 0.84 KLKB1 (0.53) KLKB1CARM1
SCHEMBL22416926 0.84 CARM1 (0.73) KLKB1CARM1
SCHEMBL18632689 0.84 KLKB1 (0.53) KLKB1TRPV1CARM1
SCHEMBL7478179 0.83 KLKB1 (0.55) KLKB1CARM1
SCHEMBL22417105 0.81 CARM1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329260-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 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 (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-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885TRPV1 4153/4885CARM1 4366/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885TRPV1 4153/4885CARM1 4366/4885

“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.