Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4369701

N#Cc1cccc(NC(=O)N2CC[C@@H](CC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)C2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.38
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 5/20 0.35
USP2 O75604 4/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 3/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HSD17B10 Q99714 2/20 0.33
USP30 Q70CQ3 1/20 0.33
HIF1A Q16665 1/20 0.33
CCR2 P41597 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 SCHEMBL4363088 1.00 ALK (0.38) ALKCYP1A2CYP3A4USP2CYP2D6
Trifluoroacetic Acid SCHEMBL4354516 0.97 ALK (0.39) ALKCYP1A2CYP3A4USP2CYP2D6
SCHEMBL1076641 0.96 ALK (0.41) ALKCYP1A2CYP3A4USP2CYP2D6
SCHEMBL1075650 0.96 ALK (0.41) ALKCYP1A2CYP3A4USP2CYP2D6
Trifluoroacetic Acid SCHEMBL4360472 0.94 ALK (0.37) ALKLOXL2TRPM8JAK2JAK1
Trifluoroacetic Acid SCHEMBL4364459 0.94 ALK (0.37) ALKLOXL2TRPM8JAK2JAK1
Trifluoroacetic Acid SCHEMBL4363594 0.92 ALK (0.39) ALKLOXL2JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4359127 0.92 ALK (0.39) ALKLOXL2JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4360816 0.92 ALK (0.39) ALKLOXL2JAK2JAK1TYK2
SCHEMBL1073561 0.92 ALK (0.42) ALKCYP1A2CYP3A4USP2CYP2D6

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 3/4885CYP1A2 3183/4885CYP3A4 3025/4885

“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.