Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL387437

CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(c4nccc(C(F)(F)F)n4)CC3)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.46
PTGS2 P35354 3/20 0.45
PTGS1 P23219 1/20 0.45
CHRM4 P08173 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
GPR183 P32249 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ACACB O00763 1/20 0.43
CETP P11597 1/20 0.43
KMT2A Q03164 1/20 0.42
RBP4 P02753 2/20 0.42
TTR P02766 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SYK P43405 1/20 0.41
FFAR1 O14842 1/20 0.41
PKM P14618 1/20 0.40
SLC6A9 P48067 1/20 0.40

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
SCHEMBL872405 0.95 PTGS2 (0.49) SLC6A7PTGS2PTGS1GPR119GPR183
Trifluoroacetic Acid SCHEMBL386540 0.86 FFAR1 (0.56) PTGS2PTGS1GPR119GPR183ACACB
Trifluoroacetic Acid SCHEMBL387786 0.85 GPR119 (0.48) PTGS2PTGS1GPR119GPR183
Trifluoroacetic Acid SCHEMBL387425 0.82 GPR119 (0.50) GPR119GPR183KDM4EKMT2A
Trifluoroacetic Acid SCHEMBL387401 0.81 GPR119 (0.49) PTGS2PTGS1GPR119GPR183SLC6A9
Trifluoroacetic Acid SCHEMBL870089 0.81 GPR119 (0.47) PTGS2PTGS1GPR119GPR183SLC6A9
SCHEMBL870952 0.80 FFAR1 (0.54) PTGS2PTGS1GPR119GPR183ACACB
Trifluoroacetic Acid SCHEMBL384405 0.79 LMNA (0.43) PTGS2PTGS1GPR119GPR183KMT2A
Trifluoroacetic Acid SCHEMBL388292 0.78 GPR119 (0.41) PTGS2PTGS1GPR119GPR183FFAR1
Trifluoroacetic Acid SCHEMBL15538683 0.77 TDP1 (0.48) PTGS2PTGS1

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
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC SLC6A7 2051/4885PTGS2 1372/4885PTGS1 2254/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC SLC6A7 2051/4885PTGS2 1372/4885PTGS1 2254/4885

“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.