SCHEMBL6793924

SCHEMBL6793924

CC(C)Nc1ncc(-c2cc(N)cc(C(F)(F)F)c2)n(CC(=O)O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.54
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
SOS1 Q07889 6/20 0.37
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37
F3 P13726 1/20 0.36

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
Hydrochloric Acid SCHEMBL6795206 0.99 F7 (0.53) F7GRIN1GRIN2BSOS1ATP1A1
SCHEMBL8363605 0.88 F7 (0.50) F7GRIN1GRIN2BSOS1
SCHEMBL8363205 0.86 F7 (0.57) F7F3
SCHEMBL8363209 0.82 F7 (0.58) F7F3
SCHEMBL8360265 0.81 F7 (0.65) F7F3
SCHEMBL8362430 0.80 F7 (0.56) F7F3
SCHEMBL8363577 0.80 F7 (0.73) F7F3
SCHEMBL8360246 0.80 F7 (0.73) F7F3
SCHEMBL6796881 0.80 F7 (0.49) F7F3
SCHEMBL6794047 0.79 F7 (0.70) 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 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 54/4885GRIN1 4757/4885GRIN2B 4734/4885

“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.