Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2013263

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCCC(CO)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.40
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KHK P50053 1/20 0.34
ALOX12 P18054 4/20 0.34
NCOA3 Q9Y6Q9 2/20 0.33
NCOA1 Q15788 1/20 0.33
BTK Q06187 3/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MCL1 Q07820 1/20 0.33
DYRK1A Q13627 1/20 0.32

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
SCHEMBL2016495 0.94 PIK3CD (0.42) PIK3CDITGB2ICAM1ITGALNPC1
Trifluoroacetic Acid SCHEMBL2164791 0.92 PIK3CD (0.41) PIK3CDITGB2ICAM1ITGALFFAR4
Trifluoroacetic Acid SCHEMBL2036956 0.91 PIK3CD (0.41) PIK3CDFFAR4NPC1RAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL2052617 0.89 PIK3CD (0.40) PIK3CDNPC1RAB9AL3MBTL1ALOX12
Trifluoroacetic Acid SCHEMBL2163852 0.89 PIK3CD (0.42) PIK3CDNPC1RAB9AL3MBTL1ALOX12
Trifluoroacetic Acid SCHEMBL2012685 0.89 PIK3CD (0.41) PIK3CDITGB2ICAM1ITGALFFAR4
Trifluoroacetic Acid SCHEMBL2163679 0.88 PIK3CD (0.42) PIK3CDITGB2ICAM1ITGALNPC1
Trifluoroacetic Acid SCHEMBL2054109 0.88 PIK3CD (0.43) PIK3CDNPC1RAB9AL3MBTL1ALOX12
Trifluoroacetic Acid SCHEMBL2054367 0.86 PIK3CD (0.40) PIK3CDNPC1RAB9AL3MBTL1ALOX12
Trifluoroacetic Acid SCHEMBL2054046 0.86 PIK3CD (0.40) PIK3CDNPC1RAB9AL3MBTL1ALOX12

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 PIK3CD 13/4885ITGB2 2534/4885ICAM1 3219/4885

“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.