Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948232

CC(C)CCCOc1ccc(CNCCC(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
KDM4E B2RXH2 1/20 0.48
MITF O75030 1/20 0.48
GAA P10253 1/20 0.48
S1PR1 P21453 4/20 0.48
S1PR3 Q99500 2/20 0.48
KMT2A Q03164 1/20 0.46
S1PR5 Q9H228 1/20 0.46
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RARB P10826 1/20 0.43

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 SCHEMBL947385 0.90 S1PR1 (0.56) LTA4HS1PR1S1PR3KMT2AS1PR5
Trifluoroacetic Acid SCHEMBL947319 0.89 S1PR1 (0.64) LTA4HS1PR1S1PR3KMT2AS1PR5
Trifluoroacetic Acid SCHEMBL948584 0.88 LTA4H (0.56) LTA4HKDM4EMITFGAAS1PR1
Trifluoroacetic Acid SCHEMBL948036 0.87 KMT2A (0.47) LTA4HKDM4EMITFGAAS1PR1
Trifluoroacetic Acid SCHEMBL947869 0.87 KDM4E (0.47) LTA4HKDM4EMITFGAAKMT2A
Trifluoroacetic Acid SCHEMBL948191 0.86 S1PR1 (0.56) LTA4HKDM4EMITFGAAS1PR1
Trifluoroacetic Acid SCHEMBL949936 0.86 LTA4H (0.63) LTA4HKDM4EMITFGAAS1PR1
Trifluoroacetic Acid SCHEMBL947984 0.85 S1PR1 (0.58) LTA4HKDM4EMITFGAAS1PR1
Trifluoroacetic Acid SCHEMBL946574 0.85 S1PR1 (0.58) LTA4HKDM4EMITFGAAS1PR1
Trifluoroacetic Acid SCHEMBL948072 0.85 S1PR1 (0.58) LTA4HKDM4EMITFGAAS1PR1

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-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US 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
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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 LTA4H 427/4885KDM4E 2041/4885MITF 3598/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 LTA4H 697/4885KDM4E 1286/4885MITF 3823/4885

“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.