SCHEMBL6794077

SCHEMBL6794077

CCOC(=O)c1cc(-c2c(Cl)nc(NC(C)C)c(=O)n2CC(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.44
F3 P13726 13/20 0.44
PRSS1 P07477 1/20 0.44
F2 P00734 11/20 0.44
NPC1 O15118 1/20 0.41
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8362424 0.86 F7 (0.58) F7F3PRSS1F2
SCHEMBL8360874 0.83 F7 (0.42) F7F3NPC1FOSJUN
SCHEMBL5846590 0.82 F7 (0.53) F7F3PRSS1F2
SCHEMBL6647177 0.78 NPC1 (0.44) NPC1FOSJUNNFKB1NFKB2
SCHEMBL6791966 0.73 F7 (0.40) F7F3PRSS1F2MAPT
SCHEMBL6485964 0.72 F7 (0.51) F7F3F2ALDH1A1GAA
SCHEMBL6794766 0.70 F7 (0.67) F7F3PRSS1F2
SCHEMBL6791726 0.70 F7 (0.48) F7F3F2ALDH1A1
SCHEMBL6791732 0.70 F7 (0.48) F7F3F2ALDH1A1
SCHEMBL5846898 0.70 F7 (0.68) F7F3PRSS1F2

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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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 (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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG F7 54/4885F3 20/4885PRSS1 34/4885

“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.