Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2053550

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C2CCC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
ALOX12 P18054 4/20 0.34
NCOA3 Q9Y6Q9 2/20 0.34
NCOA1 Q15788 1/20 0.34
MCL1 Q07820 1/20 0.32
RPS6KB1 P23443 2/20 0.32
AKT1 P31749 2/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
HSP90AA1 P07900 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
BTK Q06187 2/20 0.32
ALK Q9UM73 1/20 0.32
BRAF P15056 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 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
Trifluoroacetic Acid SCHEMBL2054114 0.98 PIK3CD (0.40) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2163475 0.97 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2163349 0.94 PIK3CD (0.40) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2017826 0.93 PIK3CD (0.44) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2054109 0.91 PIK3CD (0.43) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2017405 0.91 PIK3CD (0.43) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2054412 0.90 PIK3CD (0.40) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2013639 0.90 PIK3CD (0.45) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2052514 0.89 PIK3CD (0.41) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2038413 0.88 PIK3CD (0.41) PIK3CDL3MBTL1NPC1RAB9AALOX12

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 13/4885L3MBTL1 2960/4885NPC1 3274/4885

“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.