SCHEMBL21579639

SCHEMBL21579639

C[C@@H]1N=C(N2CCN(C(=O)[C@H](N)C3CCC(N=[N+]=[N-])CC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1

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
SCHEMBL21571084 0.92 F12 (0.71) F12
SCHEMBL21571092 0.92 F12 (0.71) F12
SCHEMBL21571161 0.90 F12 (0.71) F12
SCHEMBL26018536 0.90 F12 (0.71) F12
SCHEMBL21571164 0.90 F12 (0.71) F12
SCHEMBL30633219 0.88 F12 (0.65) F12
SCHEMBL25362977 0.87 F12 (0.79) F12
SCHEMBL21571175 0.87 F12 (0.79) F12
SCHEMBL21579770 0.87 F12 (0.79) F12
SCHEMBL21571283 0.82 F12 (0.76) 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.