Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL388375

CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)c4ccco4)CC3)cn2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.56
GPR183 P32249 1/20 0.51
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
ALDH1A1 P00352 4/20 0.41
BRD4 O60885 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL870012 0.94 GPR119 (0.62) GPR119GPR183TSHRLMNAHTT
Trifluoroacetic Acid SCHEMBL389247 0.88 GPR119 (0.53) GPR119GPR183CYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL385348 0.84 GPR119 (0.49) GPR119GPR183LMNAHTTCYP4F2
Trifluoroacetic Acid SCHEMBL387890 0.84 GPR119 (0.55) GPR119GPR183CYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL384874 0.83 GPR119 (0.49) GPR119GPR183LMNACYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL388194 0.83 GPR119 (0.55) GPR119GPR183CYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL387128 0.83 GPR119 (0.52) GPR119GPR183CYP4F2CYP4A11
SCHEMBL870020 0.83 GPR119 (0.57) GPR119GPR183CYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL388841 0.82 GPR119 (0.53) GPR119GPR183CYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL389147 0.82 GPR119 (0.51) GPR119GPR183CYP4F2CYP4A11

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 GPR119 1/4885GPR183 1491/4885TSHR 2063/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC GPR119 1/4885GPR183 1491/4885TSHR 2063/4885

“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.