Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4361373

Cc1cc(C(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(F)c(n3)N4)CC2)no1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.37
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
RAB9A P51151 6/20 0.33
NPC1 O15118 5/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 3/20 0.32
EPHX2 P34913 1/20 0.32
JAK2 O60674 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
GPR6 P46095 1/20 0.31
PTK2 Q05397 1/20 0.31
PTK2B Q14289 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL4370120 0.96 ALK (0.39) ALKTACR2TACR1RAB9ANPC1
Trifluoroacetic Acid SCHEMBL1075811 0.94 ALK (0.37) ALKTACR2TACR1RAB9ANPC1
Trifluoroacetic Acid SCHEMBL4360640 0.93 ALK (0.36) ALKTACR2TACR1RAB9ANPC1
Trifluoroacetic Acid SCHEMBL4360443 0.93 EPHX2 (0.32) ALKTACR2TACR1EPHX2JAK2
Trifluoroacetic Acid SCHEMBL4352932 0.93 EPHX2 (0.32) ALKTACR2TACR1EPHX2JAK2
Trifluoroacetic Acid SCHEMBL4358304 0.93 ALK (0.45) ALKEPHX2JAK2
SCHEMBL4357170 0.90 ALK (0.40) ALKTACR2TACR1RAB9ANPC1
SCHEMBL4356927 0.89 ALK (0.33) ALKTACR2TACR1RAB9ANPC1
SCHEMBL4359814 0.89 ALK (0.49) ALKJAK2
Trifluoroacetic Acid SCHEMBL4365262 0.88 ALK (0.45) ALKKMT2AJAK2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885TACR2 3473/4885TACR1 4290/4885

“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.