SCHEMBL20168358

SCHEMBL20168358

CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1C(=O)NCc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F12 P00748 16/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20168356 1.00 F12 (0.45) F12MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL30633264 1.00 F12 (0.45) F12MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL26018072 0.83 F12 (0.51) F12
SCHEMBL652744 0.81 NR1H2 (0.48)
SCHEMBL31740710 0.81 BACE1 (0.45)
SCHEMBL656294 0.81 BACE1 (0.45)
SCHEMBL13837003 0.81 BACE1 (0.45)
SCHEMBL7054647 0.81 BACE1 (0.45)
SCHEMBL21579620 0.81 MAPT (0.47) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL20166269 0.81 F12 (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
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
EP-3541375-A1 FACTOR XIIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-09-25 EP disclosed
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO 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 4/4885MAPT 4551/4885ALDH1A1 1906/4885
US-20190352294-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 F12 4/4885MAPT 4551/4885ALDH1A1 1906/4885

“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.