Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL387450

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CHRM4 P08173 1/20 0.48
SIGMAR1 Q99720 4/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45

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
SCHEMBL870754 0.92 MAOA (0.56) MAOAMAOBSIGMAR1HRH3
Trifluoroacetic Acid SCHEMBL384634 0.91 CHEK2 (0.49) SIGMAR1
Trifluoroacetic Acid SCHEMBL387100 0.91 CHEK2 (0.48) MAOBSIGMAR1
Trifluoroacetic Acid SCHEMBL387402 0.91 SIGMAR1 (0.56) SIGMAR1
Trifluoroacetic Acid SCHEMBL385338 0.91 CHEK2 (0.49) SIGMAR1
Trifluoroacetic Acid SCHEMBL387298 0.90 KCNH2 (0.56) CHRM4SIGMAR1HRH3
Trifluoroacetic Acid SCHEMBL387452 0.90 SIGMAR1 (0.46) SIGMAR1
Trifluoroacetic Acid SCHEMBL384683 0.89 SIGMAR1 (0.48) SIGMAR1
Trifluoroacetic Acid SCHEMBL387343 0.89 FAAH (0.48) SIGMAR1
Trifluoroacetic Acid SCHEMBL387548 0.87 KCNH2 (0.46) MAOAMAOBSIGMAR1

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 MAOA 1876/4885MAOB 1044/4885CHRM4 2633/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC MAOA 1876/4885MAOB 1044/4885CHRM4 2633/4885

“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.