SCHEMBL6792534

SCHEMBL6792534

CC(C)Nc1ncc(-c2cc(NC(=O)OC(C)(C)C)cc(S(=O)(=O)O)c2)n(CC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.39
NAMPT P43490 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FPR2 P25090 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
RORC P51449 2/20 0.31
ADAMTS4 O75173 1/20 0.31
MAPK14 Q16539 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL6792372 0.85 F7 (0.38) F7NAMPTEGLN2RORCADAMTS4
SCHEMBL8362598 0.81 F7 (0.41) F7EGLN2MAPK14P2RX3
SCHEMBL6791806 0.80 F7 (0.40) F7EGLN2P2RX3
SCHEMBL6796881 0.80 F7 (0.49) F7EGLN2
SCHEMBL6792414 0.80 F7 (0.41) F7EGLN2
SCHEMBL8360889 0.78 F7 (0.39) F7EGLN2P2RX3
SCHEMBL6792932 0.78 F7 (0.38) F7
SCHEMBL6792938 0.78 F7 (0.38) F7
SCHEMBL8360318 0.78 F7 (0.38) F7EGLN2RORCP2RX3
SCHEMBL8363696 0.78 F7 (0.38) F7EGLN2P2RX3

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 20/4885NAMPT 833/4885JAK2 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.