Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL387252

CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(Cc4ccccc4Br)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 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
FAAH O00519 1/20 0.43
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
SSTR5 P35346 1/20 0.40
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL869604 0.92 ATM (0.47) ATM
Trifluoroacetic Acid SCHEMBL388711 0.90 CXCR4 (0.44) ATMFAAH
Trifluoroacetic Acid SCHEMBL387452 0.86 SIGMAR1 (0.46) SSTR5KCNH2GPR119
Trifluoroacetic Acid SCHEMBL387488 0.83 SSTR5 (0.47) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL384634 0.83 CHEK2 (0.49) SSTR5KCNH2GPR119
Trifluoroacetic Acid SCHEMBL385338 0.83 CHEK2 (0.49) FAAH
Trifluoroacetic Acid SCHEMBL387100 0.83 CHEK2 (0.48)
Trifluoroacetic Acid SCHEMBL387402 0.83 SIGMAR1 (0.56) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL384554 0.83 MTNR1B (0.48) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL387298 0.82 KCNH2 (0.56) KCNH2GPR119

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 ATM 3212/4885FAAH 2885/4885DPP4 25/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ATM 3212/4885FAAH 2885/4885DPP4 25/4885

“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.