Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948722

CC(C)(C)c1ccc(CCOc2ccc(CCNCCC(=O)O)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.53
S1PR3 Q99500 2/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FFAR1 O14842 1/20 0.51
LTA4H P09960 2/20 0.51
KMT2A Q03164 2/20 0.51
S1PR5 Q9H228 1/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MITF O75030 1/20 0.50
GPR35 Q9HC97 1/20 0.49
PPARA Q07869 2/20 0.48
PPARD Q03181 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 2/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL15890967 0.94 S1PR1 (0.58) S1PR1S1PR3LMNASMN1; SMN2FFAR1
Trifluoroacetic Acid SCHEMBL947279 0.94 S1PR1 (0.63) S1PR1S1PR3LMNASMN1; SMN2FFAR1
Trifluoroacetic Acid SCHEMBL946302 0.91 NR4A2 (0.54) S1PR1S1PR3FFAR1KMT2AGAA
Trifluoroacetic Acid SCHEMBL950345 0.90 FFAR1 (0.51) S1PR1S1PR3FFAR1LTA4HKMT2A
Trifluoroacetic Acid SCHEMBL947348 0.89 S1PR1 (0.55) S1PR1S1PR3LMNAFFAR1LTA4H
Trifluoroacetic Acid SCHEMBL948565 0.89 S1PR1 (0.67) S1PR1S1PR3FFAR1LTA4HKMT2A
SCHEMBL15890812 0.87 S1PR1 (0.70) S1PR1S1PR3LMNASMN1; SMN2FFAR1
Trifluoroacetic Acid SCHEMBL946341 0.86 S1PR1 (0.55) S1PR1S1PR3LMNAFFAR1LTA4H
Trifluoroacetic Acid SCHEMBL947990 0.86 S1PR1 (0.60) S1PR1S1PR3LMNAFFAR1LTA4H
SCHEMBL15890941 0.85 NR4A2 (0.60) S1PR1S1PR3SMN1; SMN2FFAR1S1PR5

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 7 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
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 (3 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 S1PR1 1/4885S1PR3 3/4885LMNA 2786/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885LMNA 3761/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885LMNA 3761/4885

“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.