SCHEMBL6522288

SCHEMBL6522288

CC(=O)OC(C(=O)O)C1OCCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 4/20 0.37
TACR1 P25103 10/20 0.33
FFAR4 Q5NUL3 2/20 0.32
CCR2 P41597 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
MGLL Q99685 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL6522284 1.00 F9 (0.37) F9TACR1FFAR4CCR2AKR1C3
SCHEMBL1439301 1.00 F9 (0.37) F9TACR1FFAR4CCR2AKR1C3
SCHEMBL1439298 1.00 F9 (0.37) F9TACR1FFAR4CCR2AKR1C3
SCHEMBL1438151 0.90 F9 (0.35) F9TACR1
SCHEMBL1438149 0.90 F9 (0.35) F9TACR1
SCHEMBL1438152 0.90 F9 (0.35) F9TACR1
SCHEMBL1949492 0.89 F9 (0.42) F9CCR2AKR1C3PPARDPPARA
SCHEMBL1949488 0.89 F9 (0.42) F9CCR2AKR1C3PPARDPPARA
SCHEMBL12546516 0.86 F9 (0.36) F9
SCHEMBL12546905 0.85 F9 (0.38) F9

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-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885TACR1 4149/4885FFAR4 4551/4885

“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.