Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL387100

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SCN7A Q01118 1/20 0.47
SCN5A Q14524 1/20 0.47
MAOB P27338 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
Trifluoroacetic Acid SCHEMBL384634 0.93 CHEK2 (0.49) CHEK2SIGMAR1
Trifluoroacetic Acid SCHEMBL385338 0.93 CHEK2 (0.49) CHEK2SIGMAR1
Trifluoroacetic Acid SCHEMBL387402 0.93 SIGMAR1 (0.56) SIGMAR1
Trifluoroacetic Acid SCHEMBL387452 0.92 SIGMAR1 (0.46) SIGMAR1
Trifluoroacetic Acid SCHEMBL387298 0.92 KCNH2 (0.56) SIGMAR1
SCHEMBL870325 0.91 TDP1 (0.55) CHEK2SIGMAR1TDP1MAOB
Trifluoroacetic Acid SCHEMBL387450 0.91 MAOA (0.49) SIGMAR1MAOB
Trifluoroacetic Acid SCHEMBL384683 0.91 SIGMAR1 (0.48) SIGMAR1SCN7ASCN5A
Trifluoroacetic Acid SCHEMBL387474 0.90 MAOA (0.50) MAOB
Trifluoroacetic Acid SCHEMBL387343 0.90 FAAH (0.48) SIGMAR1

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 CHEK2 2703/4885SIGMAR1 3676/4885TDP1 3707/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC CHEK2 2703/4885SIGMAR1 3676/4885TDP1 3707/4885

“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.