Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL207985

Brc1nc2c(s1)CNCC2.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.38
UHRF1 Q96T88 2/20 0.36
APEX1 P27695 1/20 0.35
PDCD1 Q15116 4/20 0.33
CD274 Q9NZQ7 4/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
PNMT P11086 2/20 0.31
CHKA P35790 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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 SCHEMBL31143496 0.84 HDAC2 (0.37) HDAC2UHRF1APEX1PDCD1CD274
Trifluoroacetic Acid SCHEMBL31143352 0.84 HDAC2 (0.42) HDAC2UHRF1APEX1PNMTCHKA
SCHEMBL765291 0.84 PDCD1 (0.39) HDAC2APEX1PDCD1CD274F2
Hydrochloric Acid SCHEMBL1019708 0.82 PDCD1 (0.39) HDAC2APEX1PDCD1CD274F2
Trifluoroacetic Acid SCHEMBL22395815 0.82 HDAC2 (0.45) HDAC2UHRF1APEX1PDCD1CD274
Trifluoroacetic Acid SCHEMBL22395761 0.81 HDAC2 (0.38) HDAC2UHRF1APEX1PDCD1CD274
Trifluoroacetic Acid SCHEMBL22395793 0.81 UHRF1 (0.36) HDAC2UHRF1APEX1PDCD1CD274
Trifluoroacetic Acid SCHEMBL17965606 0.81 PDCD1 (0.38) HDAC2UHRF1APEX1PDCD1CD274
Trifluoroacetic Acid SCHEMBL22396037 0.78 PDCD1 (0.42) HDAC2UHRF1APEX1PDCD1CD274
Trifluoroacetic Acid SCHEMBL31173231 0.76 UHRF1 (0.35) HDAC2UHRF1APEX1PDCD1CD274

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1864982-B1 TRIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2012-10-24 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-1415992-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-05-02 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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 (7 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 HDAC2 2629/4885UHRF1 2427/4885APEX1 478/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 HDAC2 1744/4885UHRF1 1852/4885APEX1 1360/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HDAC2 1880/4885UHRF1 1907/4885APEX1 1059/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HDAC2 1880/4885UHRF1 1907/4885APEX1 1059/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HDAC2 1880/4885UHRF1 1907/4885APEX1 1059/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R HDAC2 2209/4885UHRF1 1711/4885APEX1 1085/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 HDAC2 2877/4885UHRF1 2107/4885APEX1 297/4885

“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.