Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL949936

O=C(O)C(F)(F)F.O=C(O)CCNCc1ccc(OCCCOc2ccccc2)cc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.63
S1PR1 P21453 4/20 0.58
S1PR3 Q99500 2/20 0.58
S1PR5 Q9H228 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MITF O75030 1/20 0.55
GAA P10253 1/20 0.55
DRD4 P21917 2/20 0.55
KMT2A Q03164 1/20 0.53
FFAR1 O14842 3/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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 SCHEMBL950311 0.96 LTA4H (0.61) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL948279 0.92 S1PR1 (0.72) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL947959 0.91 LTA4H (0.59) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL946917 0.91 S1PR1 (0.72) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL947945 0.90 FFAR1 (0.65) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL948584 0.90 LTA4H (0.56) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL947784 0.90 S1PR1 (0.73) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL947925 0.90 S1PR1 (0.73) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL950225 0.90 S1PR1 (0.73) LTA4HS1PR1S1PR3S1PR5KDM4E
Trifluoroacetic Acid SCHEMBL949631 0.90 S1PR1 (0.73) LTA4HS1PR1S1PR3S1PR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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 (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-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 LTA4H 697/4885S1PR1 1/4885S1PR3 2/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 LTA4H 697/4885S1PR1 1/4885S1PR3 2/4885

“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.