Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2013841

NCc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.42
PIK3CD O00329 1/20 0.41
NT5E P21589 1/20 0.37
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
ICMT O60725 1/20 0.33
GRIN2B Q13224 2/20 0.33
DPP4 P27487 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
LRRK2 Q5S007 1/20 0.32
DCLRE1B Q9H816 1/20 0.32
KMO O15229 1/20 0.32
PTPN11 Q06124 1/20 0.32
CHIT1 Q13231 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
THPO P40225 1/20 0.31
DHODH Q02127 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
Trifluoroacetic Acid SCHEMBL2012078 0.92 BCL2 (0.41) BCL2PIK3CDNT5ESLC16A3SLC16A1
SCHEMBL12403232 0.91 BCL2 (0.48) BCL2PIK3CDNT5EGRIN2BDPP4
Trifluoroacetic Acid SCHEMBL2012076 0.82 BCL2 (0.53) BCL2PIK3CDNT5ESLC16A3SLC16A1
SCHEMBL12491178 0.82 BCL2 (0.47) BCL2PIK3CDNT5EDPP4TAAR1
SCHEMBL2012080 0.81 BCL2 (0.41) BCL2PIK3CDNT5EICMTGRIN2B
Trifluoroacetic Acid SCHEMBL2038097 0.80 PIK3CD (0.49) BCL2PIK3CDLRRK2NR1H2
SCHEMBL2019261 0.80 PIK3CD (0.44) BCL2PIK3CDNT5EGRIN2BCYP3A4
SCHEMBL2013843 0.76 BCL2 (0.48) BCL2PIK3CDNT5EICMTGRIN2B
SCHEMBL2165713 0.75 BCL2 (0.42) BCL2PIK3CDNT5ESLC16A3SLC16A1
SCHEMBL15617701 0.74 BCL2 (0.44) BCL2PIK3CDNT5E

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.