SCHEMBL22277246

SCHEMBL22277246

CNC(=O)CNC(=O)c1csc([C@@H]2C[C@@H](N)CN2C(=O)c2cc3ccc(C)cc3s2)n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.67

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
SCHEMBL22277258 0.88 KLKB1 (0.66) KLKB1
SCHEMBL22277264 0.87 KLKB1 (0.60) KLKB1
SCHEMBL20705063 0.81 KLKB1 (0.80) KLKB1
SCHEMBL20705062 0.81 KLKB1 (0.80) KLKB1
SCHEMBL22277324 0.81 KLKB1 (0.79) KLKB1
SCHEMBL22277265 0.79 KLKB1 (0.51) KLKB1
SCHEMBL22277200 0.78 KLKB1 (0.67) KLKB1
SCHEMBL22277237 0.78 KLKB1 (0.44) KLKB1
SCHEMBL20713754 0.78 KLKB1 (0.51) KLKB1
SCHEMBL22277272 0.78 KLKB1 (0.73) KLKB1

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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 KLKB1 1/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KLKB1 1/4885

“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.