Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1947671

Cc1ccc(N2CCCC(C(O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.66
C1S P09871 1/20 0.42
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
F7 P08709 4/20 0.39
F3 P13726 3/20 0.39
F2 P00734 3/20 0.39
F11 P03951 3/20 0.39
F10 P00742 2/20 0.39
MET P08581 2/20 0.39
ADAM17 P78536 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL1950279 0.94 F9 (0.73) F9C1SFPR1FPR2F7
SCHEMBL1947672 0.86 F9 (0.58) F9C1SFPR1FPR2F7
Trifluoroacetic Acid SCHEMBL1438252 0.86 F9 (0.89) F9C1SLRRK2
Trifluoroacetic Acid SCHEMBL1945642 0.85 F9 (0.72) F9C1SF7F3F2
Trifluoroacetic Acid SCHEMBL1947732 0.85 F9 (0.90) F9C1SFPR1FPR2F7
Trifluoroacetic Acid SCHEMBL1950066 0.83 F9 (0.75) F9C1SF7F3F2
SCHEMBL1947741 0.81 F9 (0.54) F9FPR1FPR2F7F3
Trifluoroacetic Acid SCHEMBL1947449 0.80 F9 (0.65) F9C1SLRRK2
SCHEMBL1950493 0.80 F9 (1.00) F9C1SLRRK2
SCHEMBL1947457 0.80 F9 (1.00) F9C1SLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885C1S 670/4885FPR1 809/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885C1S 670/4885FPR1 809/4885

“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.