Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4359127

O=C(CC1CCN(C(=O)Nc2ccccc2)C1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.39
LOXL2 Q9Y4K0 7/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
FAAH O00519 1/20 0.34
NAMPT P43490 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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 SCHEMBL4360816 1.00 ALK (0.39) ALKLOXL2JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4363594 1.00 ALK (0.39) ALKLOXL2JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4356959 0.96 LOXL2 (0.43) ALKLOXL2JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4365707 0.96 LOXL2 (0.43) ALKLOXL2JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4364725 0.96 ALK (0.40) ALKLOXL2JAK2JAK1TYK2
SCHEMBL1075960 0.96 ALK (0.42) ALKLOXL2JAK2JAK1TYK2
SCHEMBL1076311 0.96 ALK (0.42) ALKLOXL2JAK2JAK1TYK2
SCHEMBL1073677 0.96 ALK (0.42) ALKLOXL2JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4354579 0.95 FAAH (0.38) ALKLOXL2JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4353985 0.95 FAAH (0.38) ALKLOXL2JAK2JAK1TYK2

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 3/4885LOXL2 3613/4885JAK2 1/4885

“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.