Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1948933

Cc1ccc(N2CCOC(C(O)C(=O)Nc3ccc(CN)cc3)C2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F9 P00740 13/20 0.67
L3MBTL1 Q9Y468 1/20 0.43
ITGB3 P05106 4/20 0.42
ITGB1 P05556 4/20 0.42
ITGA5 P08648 4/20 0.42
ITGAV P06756 3/20 0.42
ITGB5 P18084 2/20 0.41
ITGB2 P05107 1/20 0.41
ITGB6 P18564 1/20 0.41
ITGAL P20701 1/20 0.41
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
ITGA2B P08514 1/20 0.37
TPSAB1 Q15661 1/20 0.36

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
SCHEMBL1947470 0.94 F9 (0.75) F9
SCHEMBL12545658 0.94 F9 (0.75) F9
SCHEMBL1948288 0.88 F9 (0.58) F9FPR1FPR2
SCHEMBL1948284 0.88 F9 (0.58) F9FPR1FPR2
Trifluoroacetic Acid SCHEMBL1948291 0.87 F9 (0.88) F9
SCHEMBL1948937 0.85 F9 (0.53) F9L3MBTL1ITGB3ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL1947626 0.83 F9 (0.49) F9ITGB3ITGB1ITGA5ITGAV
SCHEMBL12786699 0.82 F9 (0.76) F9
SCHEMBL12545860 0.82 F9 (0.85) F9L3MBTL1FPR2
Trifluoroacetic Acid SCHEMBL1946833 0.81 F9 (0.60) F9L3MBTL1

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 2/4885L3MBTL1 3657/4885ITGB3 669/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885L3MBTL1 3657/4885ITGB3 669/4885

“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.