Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL384554

COc1ccc(F)c(CN2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.48
SSTR5 P35346 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
FFAR1 O14842 2/20 0.41
SCN7A Q01118 1/20 0.40
SCN5A Q14524 1/20 0.40
CHEK2 O96017 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
SCHEMBL870481 0.93 MTNR1B (0.50) MTNR1BSSTR5KCNH2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL387488 0.92 SSTR5 (0.47) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL385338 0.87 CHEK2 (0.49) CHEK2
SCHEMBL870363 0.85 SIGMAR1 (0.48) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL387100 0.83 CHEK2 (0.48) SCN7ASCN5ACHEK2
Trifluoroacetic Acid SCHEMBL387402 0.83 SIGMAR1 (0.56) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL387252 0.83 ATM (0.43) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL388711 0.83 CXCR4 (0.44)
Trifluoroacetic Acid SCHEMBL388281 0.82 ACHE (0.51) SSTR5KCNH2POLB
Trifluoroacetic Acid SCHEMBL384634 0.81 CHEK2 (0.49) SSTR5KCNH2CHEK2

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 MTNR1B 313/4885SSTR5 1382/4885KCNH2 2919/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC MTNR1B 313/4885SSTR5 1382/4885KCNH2 2919/4885

“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.