SCHEMBL6501672

SCHEMBL6501672

CCCN(Cc1nccn1-c1ccc(N2CCc3c(S(C)(=O)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1)C(=O)COC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.56
F2 P00734 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL6506515 0.95 F10 (0.57) F10F2
SCHEMBL6494576 0.91 F10 (0.58) F10F2
SCHEMBL6501958 0.90 F10 (0.57) F10F2
Trifluoroacetic Acid SCHEMBL6501663 0.89 F10 (0.61) F10F2
SCHEMBL6504038 0.88 F10 (0.57) F10F2PDE4APDE4BPDE4C
Trifluoroacetic Acid SCHEMBL6506513 0.85 F10 (0.62) F10F2
SCHEMBL6501951 0.84 F10 (0.59) F10F2
Trifluoroacetic Acid SCHEMBL6493415 0.84 F10 (0.61) F10F2
SCHEMBL6502147 0.84 F10 (0.58) F10F2PDE4APDE4BPDE4C
Trifluoroacetic Acid SCHEMBL6505636 0.84 F10 (0.62) F10F2

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-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 F10 2/4885F2 12/4885PDE4A 1745/4885

“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.