Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL387298

CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.56
GPR119 Q8TDV5 4/20 0.56
CYP3A4 P08684 1/20 0.50
CHRM4 P08173 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SLC6A5 Q9Y345 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
STAT3 P40763 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
SCHEMBL869989 0.94 KCNH2 (0.56) KCNH2GPR119CYP3A4SIGMAR1
Trifluoroacetic Acid SCHEMBL385338 0.92 CHEK2 (0.49) SIGMAR1
Trifluoroacetic Acid SCHEMBL387402 0.92 SIGMAR1 (0.56) KCNH2SIGMAR1
Trifluoroacetic Acid SCHEMBL387100 0.92 CHEK2 (0.48) SIGMAR1
Trifluoroacetic Acid SCHEMBL384634 0.92 CHEK2 (0.49) KCNH2GPR119SIGMAR1
Trifluoroacetic Acid SCHEMBL387452 0.91 SIGMAR1 (0.46) KCNH2GPR119SIGMAR1
Trifluoroacetic Acid SCHEMBL387450 0.90 MAOA (0.49) CHRM4HRH3SIGMAR1
Trifluoroacetic Acid SCHEMBL384683 0.90 SIGMAR1 (0.48) KCNH2GPR119SIGMAR1
Trifluoroacetic Acid SCHEMBL387343 0.89 FAAH (0.48) KCNH2GPR119SIGMAR1
Trifluoroacetic Acid SCHEMBL387548 0.88 KCNH2 (0.46) KCNH2GPR119SIGMAR1

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 KCNH2 2919/4885GPR119 1/4885CYP3A4 570/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC KCNH2 2919/4885GPR119 1/4885CYP3A4 570/4885

“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.