SCHEMBL21579633

SCHEMBL21579633

CS(=O)(=O)NCCCCCC(=O)N1CCN(C(=O)Oc2ccc(CN)c3ccccc23)C[C@H]1C(=O)NCc1cccs1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F12 P00748 20/20 0.65

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
SCHEMBL21579630 0.79 F12 (1.00) F12
SCHEMBL21579806 0.78 F12 (0.73) F12
SCHEMBL20179644 0.77 F12 (0.61) F12
SCHEMBL21579724 0.75 F12 (1.00) F12
SCHEMBL30633270 0.75 F12 (1.00) F12
SCHEMBL21579729 0.73 F12 (1.00) F12
SCHEMBL21571361 0.73 F12 (1.00) F12
SCHEMBL30633180 0.73 F12 (1.00) F12
SCHEMBL21571279 0.72 F12 (1.00) F12
SCHEMBL30633216 0.72 F12 (1.00) F12

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-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 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-10875851-B2 Factor XIIa inhibitors F11, F13B, SERPINC1 F12 4/4885
US-20190352294-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 F12 4/4885

“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.