Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2012076

CC(N)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.53
PIK3CD O00329 2/20 0.51
NT5E P21589 1/20 0.36
DPP4 P27487 4/20 0.34
DPP7 Q9UHL4 3/20 0.34
ADAMTS5 Q9UNA0 5/20 0.33
CSNK1E P49674 1/20 0.33
PTPN11 Q06124 2/20 0.33
GRIN2B Q13224 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31

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
SCHEMBL2017233 0.91 BCL2 (0.60) BCL2PIK3CDNT5E
SCHEMBL2163803 0.91 BCL2 (0.60) BCL2PIK3CDNT5E
Cadaverine Tartrate SCHEMBL2163375 0.90 BCL2 (0.53) BCL2PIK3CDNT5EDPP4ADAMTS5
SCHEMBL2013843 0.84 BCL2 (0.48) BCL2PIK3CDNT5EADAMTS5PTPN11
SCHEMBL2019258 0.82 PIK3CD (0.58) BCL2PIK3CDNT5EADAMTS5L3MBTL1
SCHEMBL2163762 0.82 PIK3CD (0.58) BCL2PIK3CDNT5EADAMTS5L3MBTL1
Trifluoroacetic Acid SCHEMBL2013841 0.82 BCL2 (0.42) BCL2PIK3CDNT5EDPP4PTPN11
SCHEMBL12632222 0.82 PIK3CD (0.59) BCL2PIK3CDNT5EADAMTS5L3MBTL1
SCHEMBL2015596 0.81 BCL2 (0.48) BCL2PIK3CD
Trifluoroacetic Acid SCHEMBL2012078 0.81 BCL2 (0.41) BCL2PIK3CDNT5EPTPN11GRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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 (1 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 BCL2 1174/4885PIK3CD 13/4885NT5E 4372/4885

“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.