SCHEMBL6791187

SCHEMBL6791187

CC(C)COc1cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 10/20 0.41
F3 P13726 2/20 0.38
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.33
SYK P43405 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL6791181 1.00 F7 (0.41) F7F3MAPTALDH1A1MAPK1
SCHEMBL8360867 0.92 F7 (0.42) F7F3MAPTALDH1A1MAPK1
SCHEMBL6797477 0.85 F7 (0.43) F7F3ALDH1A1SYKGAA
SCHEMBL6797466 0.85 F7 (0.43) F7F3ALDH1A1SYKGAA
SCHEMBL6791726 0.84 F7 (0.48) F7F3ALDH1A1SYK
SCHEMBL6791732 0.84 F7 (0.48) F7F3ALDH1A1SYK
SCHEMBL6787928 0.83 F7 (0.41) F7F3MAPTALDH1A1SYK
SCHEMBL6787924 0.83 F7 (0.41) F7F3MAPTALDH1A1SYK
SCHEMBL8360874 0.82 F7 (0.42) F7F3MAPTGAA
SCHEMBL6791023 0.81 F7 (0.56) 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 16/4885MAPT 4840/4885

“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.