Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4370409

COc1cccc(NC(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)CC2)c1.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
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALK Q9UM73 6/20 0.39
CCR3 P51677 3/20 0.38
P2RY12 Q9H244 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36

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
SCHEMBL1074588 0.96 ALK (0.42) HTTKDM4ELMNAMAPK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4361197 0.94 ALK (0.37) LMNASMN1; SMN2HSD17B10ALK
Trifluoroacetic Acid SCHEMBL4365019 0.92 ALK (0.40) SMN1; SMN2ALKP2RY12FAAHGSK3B
Trifluoroacetic Acid SCHEMBL4364725 0.92 ALK (0.40) HTTKDM4ELMNASMN1; SMN2ALK
Trifluoroacetic Acid SCHEMBL4365232 0.92 ALK (0.39) LMNASMN1; SMN2ALKFAAH
Trifluoroacetic Acid SCHEMBL4365045 0.91 ALK (0.39) HTTLMNASMN1; SMN2HSD17B10ALK
Trifluoroacetic Acid SCHEMBL4354068 0.90 FAAH (0.40) ALKFAAHPDGFRB
Trifluoroacetic Acid SCHEMBL4360423 0.90 ALK (0.38) KDM4ELMNAALK
SCHEMBL13632938 0.90 CCR3 (0.39) HTTKDM4ELMNAMAPK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4354516 0.90 ALK (0.39) MAPK1SMN1; SMN2HSD17B10ALKP2RY12

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 HTT 2476/4885KDM4E 248/4885LMNA 4393/4885

“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.