Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL388420

CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(=O)(=O)NCCN5CCCCC5)cc4)cc3)CC2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.56
GPR183 P32249 1/20 0.55
SLC2A1 P11166 4/20 0.40
CACNA1B Q00975 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37

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 SCHEMBL384442 0.94 GPR119 (0.56) GPR119GPR183CACNA1B
SCHEMBL1849404 0.94 GPR119 (0.63) GPR119GPR183KDM4ELMNAGAA
Trifluoroacetic Acid SCHEMBL387344 0.91 GPR119 (0.58) GPR119GPR183KCNH2
Trifluoroacetic Acid SCHEMBL387741 0.90 GPR119 (0.55) GPR119GPR183CACNA1B
Trifluoroacetic Acid SCHEMBL388814 0.90 GPR119 (0.57) GPR119GPR183KCNH2
Trifluoroacetic Acid SCHEMBL387475 0.88 GPR119 (0.55) GPR119GPR183HRH3KCNH2LMNA
SCHEMBL871263 0.87 GPR119 (0.63) GPR119GPR183
SCHEMBL2883402 0.85 GPR119 (0.63) GPR119GPR183KCNH2CPT2CPT1A
SCHEMBL387207 0.85 GPR119 (0.66) GPR119GPR183KCNH2CPT2CPT1A
SCHEMBL870759 0.84 GPR119 (0.66) GPR119GPR183KCNH2

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 4 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

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 1491/4885SLC2A1 31/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC GPR119 1/4885GPR183 1491/4885SLC2A1 31/4885

“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.