Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2542797

COC(=O)C(Oc1ccc2c(N)nccc2c1)c1cc(OC)c(OC)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 4/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
MRGPRX1 Q96LB2 2/20 0.38
F9 P00740 3/20 0.37
ROCK1 Q13464 1/20 0.37
KLKB1 P03952 2/20 0.36
KLK1 P06870 2/20 0.36
KDR P35968 2/20 0.35
AURKA O14965 1/20 0.35
LCK P06239 1/20 0.35
MET P08581 1/20 0.35
TEK Q02763 1/20 0.35
AURKB Q96GD4 1/20 0.35
PDE10A Q9Y233 2/20 0.35
F10 P00742 2/20 0.35
F11 P03951 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
F7 P08709 2/20 0.35

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
SCHEMBL8225873 0.94 F12 (0.48) F12F2PLGMRGPRX1ROCK1
Trifluoroacetic Acid SCHEMBL2535829 0.93 F12 (0.45) F12F2PLGMRGPRX1F9
SCHEMBL2535833 0.89 F12 (0.44) F12F2PLGMRGPRX1F9
SCHEMBL8230693 0.88 F12 (0.48) F12F2PLGMRGPRX1ROCK1
Trifluoroacetic Acid SCHEMBL2540634 0.77 F7 (0.56) F2F9F10F11PRSS1
Trifluoroacetic Acid SCHEMBL2539154 0.76 MRGPRX1 (0.46) F12F2PLGMRGPRX1ROCK1
SCHEMBL2543309 0.74 F2 (0.50) F12F2PLGMRGPRX1ROCK1
Trifluoroacetic Acid SCHEMBL2909178 0.73 F7 (0.68) F2PLGKLK1F10F11
Trifluoroacetic Acid SCHEMBL2915840 0.73 F7 (0.68) F2PLGKLK1F10F11
SCHEMBL12249373 0.73 F7 (0.46) F12F2PLGMRGPRX1F9

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 10 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
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-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
EP-1996541-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2008-12-03 EP disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
WO-2007103996-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US 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 (2 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 F12 16/4885F2 9/4885PLG 8/4885
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.