Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2054046

COC1CCN(c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)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 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
ACACB O00763 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALOX12 P18054 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
LRRK2 Q5S007 2/20 0.34
KRAS P01116 2/20 0.33
SOS1 Q07889 2/20 0.33
GPR6 P46095 1/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
FFAR2 O15552 1/20 0.33

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 SCHEMBL2052617 0.96 PIK3CD (0.40) PIK3CDACACBL3MBTL1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL2038413 0.96 PIK3CD (0.41) PIK3CDACACBL3MBTL1NPC1RAB9A
SCHEMBL2019569 0.93 PIK3CD (0.43) PIK3CDACACBL3MBTL1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL2163852 0.92 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2163679 0.91 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2054109 0.90 PIK3CD (0.43) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2163334 0.90 PIK3CD (0.40) PIK3CDACACBL3MBTL1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL2054367 0.89 PIK3CD (0.40) PIK3CDL3MBTL1NPC1RAB9AALOX12
Trifluoroacetic Acid SCHEMBL2015207 0.89 PIK3CD (0.40) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2013780 0.89 PIK3CD (0.42) PIK3CDACACBL3MBTL1NPC1RAB9A

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 13/4885ACACB 2143/4885L3MBTL1 2960/4885

“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.