Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2054367

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)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 2/20 0.40
BTK Q06187 5/20 0.35
PDE9A O76083 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CAPN1 P07384 1/20 0.34
CTSS P25774 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
ALOX12 P18054 3/20 0.34
NCOA3 Q9Y6Q9 2/20 0.34
NCOA1 Q15788 1/20 0.34
C1S P09871 1/20 0.34
PIK3CA P42336 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SOS1 Q07889 1/20 0.32
MDM2 Q00987 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 SCHEMBL2054045 0.96 PIK3CD (0.41) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2012669 0.94 PIK3CD (0.43) PIK3CDBTKL3MBTL1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL2163852 0.92 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2163679 0.91 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12
Tromethamine SCHEMBL15589714 0.90 PIK3CD (0.39) PIK3CDBTKL3MBTL1CAPN1CTSS
Trifluoroacetic Acid SCHEMBL2054109 0.90 PIK3CD (0.43) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2013199 0.89 PIK3CD (0.44) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2054046 0.89 PIK3CD (0.40) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2015207 0.89 PIK3CD (0.40) PIK3CDBTKL3MBTL1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL2164095 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 13/4885BTK 12/4885PDE9A 2948/4885

“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.