SCHEMBL8230693

SCHEMBL8230693

COc1cc(F)c(C(Oc2ccc3c(N)nccc3c2)C(=O)O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 4/20 0.48
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
MRGPRX1 Q96LB2 2/20 0.39
PDE10A Q9Y233 3/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
TRPA1 O75762 2/20 0.39
ROCK1 Q13464 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KLKB1 P03952 2/20 0.38
KLK1 P06870 2/20 0.38
KDR P35968 3/20 0.38
AURKA O14965 2/20 0.38
LCK P06239 2/20 0.38
MET P08581 2/20 0.38

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
Trifluoroacetic Acid SCHEMBL2535829 0.95 F12 (0.45) F12F2PLGMRGPRX1PDE10A
SCHEMBL8225873 0.91 F12 (0.48) F12F2PLGMRGPRX1PDE10A
Trifluoroacetic Acid SCHEMBL2542797 0.88 F12 (0.44) F12F2PLGMRGPRX1PDE10A
SCHEMBL2535833 0.86 F12 (0.44) F12F2PLGMRGPRX1PDE10A
SCHEMBL2543309 0.83 F2 (0.50) F12F2PLGMRGPRX1PDE10A
SCHEMBL12249373 0.78 F7 (0.46) F12F2PLGMRGPRX1KLKB1
SCHEMBL2542855 0.76 F7 (0.59) F2
Trifluoroacetic Acid SCHEMBL2540634 0.75 F7 (0.56) F2
SCHEMBL13628133 0.72 F7 (0.57) F2PLGKLK1
SCHEMBL12227513 0.72 F7 (0.59) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
WO-2007103996-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 F12 3/4885F2 7/4885PLG 25/4885

“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.