SCHEMBL6792932

SCHEMBL6792932

CC(C)Nc1ncc(-c2cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c2)n(CC(=O)O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 10/20 0.38
F3 P13726 2/20 0.35
GNRHR P30968 1/20 0.35
BCL2 P10415 1/20 0.35
BECN1 Q14457 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
PRMT1 Q99873 1/20 0.33

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
SCHEMBL6792938 1.00 F7 (0.38) F7F3GNRHRBCL2BECN1
SCHEMBL8362598 0.87 F7 (0.41) F7
SCHEMBL6791806 0.86 F7 (0.40) F7BCL2BECN1
SCHEMBL6796881 0.86 F7 (0.49) F7F3
SCHEMBL6792414 0.86 F7 (0.41) F7BCL2BECN1
SCHEMBL8360889 0.84 F7 (0.39) F7
SCHEMBL8360318 0.84 F7 (0.38) F7
SCHEMBL8363696 0.84 F7 (0.38) F7
SCHEMBL6792272 0.83 F7 (0.37) F7
SCHEMBL8360867 0.83 F7 (0.42) F7F3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 F7 20/4885F3 16/4885GNRHR 3548/4885

“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.