SCHEMBL2539627

SCHEMBL2539627

CCOc1cc(C(OC(=O)C(F)(F)F)(Oc2ccc(CN)cc2)C(=O)NCc2cccc(NC(C)=O)c2)ccc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.45
F10 P00742 7/20 0.45
F11 P03951 7/20 0.45
F7 P08709 7/20 0.45
F3 P13726 7/20 0.45
KCNB1 Q14721 2/20 0.40
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
KLKB1 P03952 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
HTR2C P28335 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2541461 0.92 F7 (0.43) F2F10F11F7F3
SCHEMBL2536466 0.87 F2 (0.47) F2F10F11F7F3
SCHEMBL2542720 0.87 F7 (0.60) F2F10F11F7F3
SCHEMBL5000139 0.86 F7 (0.47) F2F10F11F7F3
SCHEMBL2538024 0.81 F7 (0.46) F2F10F11F7F3
SCHEMBL2545515 0.78 F7 (0.46) F2F10F11F7F3
Trifluoroacetic Acid SCHEMBL2539624 0.78 F7 (0.54) F2F10F11F7F3
SCHEMBL5520312 0.77 F7 (0.49) F2F10F11F7F3
SCHEMBL2537015 0.76 F7 (0.59) F2F10F11F7F3
SCHEMBL5009099 0.76 F7 (0.64) F2F10F11F7F3

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-1996541-B1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 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-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 F2 7/4885F10 14/4885F11 8/4885

“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.