SCHEMBL6645944

SCHEMBL6645944

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.47
F3 P13726 3/20 0.46
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PRSS1 P07477 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
SCHEMBL6797704 0.92 F7 (0.41) F7F3JAK2JAK1JAK3
SCHEMBL8360304 0.90 F7 (0.51) F7F3JAK2JAK1JAK3
SCHEMBL8363690 0.89 MEN1 (0.42) F7F3JAK2JAK1JAK3
SCHEMBL8360311 0.88 F7 (0.40) F7F3JAK2JAK1JAK3
SCHEMBL8363659 0.86 F7 (0.47) F7F3
SCHEMBL6792938 0.82 F7 (0.38) F7F3
SCHEMBL6792932 0.82 F7 (0.38) F7F3
SCHEMBL6791726 0.81 F7 (0.48) F7F3ALDH1A1
SCHEMBL6791732 0.81 F7 (0.48) F7F3ALDH1A1
SCHEMBL8360874 0.80 F7 (0.42) F7F3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448534-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE Pharmacia Corporation (US) 2004-08-25 EP disclosed
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 US disclosed
WO-2003029224-A1 6-MEMBERED UNSATURATED HETEROCYCLIC 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 F7 20/4885F3 16/4885JAK2 1222/4885

“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.