SCHEMBL3556995

SCHEMBL3556995

N#Cc1cc(N2CCOCC2=O)ccc1NC(=O)[C@@H]1C[C@H](N)[C@@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.42
TBK1 Q9UHD2 2/20 0.40
JAK2 O60674 1/20 0.40
PIK3CD O00329 1/20 0.38

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
SCHEMBL3556991 0.89 F10 (0.43) F10TBK1JAK2PIK3CD
SCHEMBL3549314 0.88 F10 (0.53) F10JAK2
SCHEMBL3557814 0.81 F10 (0.55) F10
SCHEMBL13675147 0.81 F10 (0.41) F10TBK1JAK2PIK3CD
SCHEMBL13674874 0.80 F10 (0.44) F10TBK1PIK3CD
SCHEMBL13436082 0.80 F10 (0.47) F10
SCHEMBL3549307 0.77 F10 (0.53) F10JAK2
SCHEMBL3554783 0.77 F10 (0.53) F10JAK2
SCHEMBL4638729 0.77 F10 (0.45) F10PIK3CD
SCHEMBL3554786 0.76 F10 (0.51) F10JAK2

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-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 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 (1 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-20070049587-A1 Factor Xa inhibitors F12, F11, F10 F10 3/4885TBK1 2269/4885JAK2 1139/4885

“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.