Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL387474

CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(Cc4cccc(Cl)c4)CC3)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FAAH O00519 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
SSTR5 P35346 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL872108 0.92 MAOA (0.57) MAOAMAOBALDH1A1LMNATSHR
Trifluoroacetic Acid SCHEMBL388281 0.91 ACHE (0.51) MAOAMAOBALDH1A1ACHESSTR5
Trifluoroacetic Acid SCHEMBL387550 0.91 MAOA (0.46) MAOAMAOBFAAHACHESSTR5
Trifluoroacetic Acid SCHEMBL387100 0.90 CHEK2 (0.48) MAOB
Trifluoroacetic Acid SCHEMBL384634 0.87 CHEK2 (0.49) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL385338 0.87 CHEK2 (0.49) FAAHACHE
Trifluoroacetic Acid SCHEMBL387402 0.87 SIGMAR1 (0.56) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL387548 0.86 KCNH2 (0.46) MAOAMAOBSSTR5KCNH2
Trifluoroacetic Acid SCHEMBL387298 0.86 KCNH2 (0.56) ALDH1A1KDM4EKCNH2
Trifluoroacetic Acid SCHEMBL387452 0.86 SIGMAR1 (0.46) SSTR5KCNH2

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 1044/4885ALDH1A1 1087/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC MAOA 1876/4885MAOB 1044/4885ALDH1A1 1087/4885

“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.