Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL387548

Cc1ccc(CN2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)cc1C.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
SSTR5 P35346 1/20 0.46
SLC2A1 P11166 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
SCN7A Q01118 1/20 0.42
SCN5A Q14524 1/20 0.42
CHEK2 O96017 1/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL869593 0.92 MAOB (0.47) SIGMAR1MAOBMAOA
Trifluoroacetic Acid SCHEMBL384634 0.90 CHEK2 (0.49) KCNH2SSTR5SLC2A1SIGMAR1CHEK2
Trifluoroacetic Acid SCHEMBL387550 0.89 MAOA (0.46) KCNH2SSTR5MAOBMAOA
Trifluoroacetic Acid SCHEMBL385338 0.88 CHEK2 (0.49) SIGMAR1CHEK2
Trifluoroacetic Acid SCHEMBL387402 0.88 SIGMAR1 (0.56) KCNH2SSTR5SIGMAR1
Trifluoroacetic Acid SCHEMBL387100 0.88 CHEK2 (0.48) SIGMAR1SCN7ASCN5ACHEK2MAOB
Trifluoroacetic Acid SCHEMBL387298 0.88 KCNH2 (0.56) KCNH2SIGMAR1GPR119
Trifluoroacetic Acid SCHEMBL387452 0.88 SIGMAR1 (0.46) KCNH2SSTR5SIGMAR1GPR119
Trifluoroacetic Acid SCHEMBL388281 0.87 ACHE (0.51) KCNH2SSTR5MAOBMAOA
Trifluoroacetic Acid SCHEMBL387450 0.87 MAOA (0.49) SIGMAR1MAOBMAOA

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 2919/4885SSTR5 1382/4885SLC2A1 31/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC KCNH2 2919/4885SSTR5 1382/4885SLC2A1 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.