Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4356274

COc1ccc(S(=O)(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)CC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCR6 P51684 2/20 0.40
ALK Q9UM73 5/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
RORC P51449 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL4356608 0.96 SMN1; SMN2 (0.41) SMN1; SMN2POLBALDH1A1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4360852 0.94 ALK (0.45) SMN1; SMN2POLBALDH1A1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4361963 0.94 ALK (0.39) SMN1; SMN2POLBALDH1A1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4359427 0.93 ALK (0.40) ALDH1A1NPSR1CCR6ALKUSP2
Trifluoroacetic Acid SCHEMBL4358593 0.91 ALK (0.41) ALKRORCMAPTJAK2JAK1
Trifluoroacetic Acid SCHEMBL4361583 0.91 ALK (0.41) ALKRORCJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4360610 0.90 CCR6 (0.39) ALDH1A1CCR6ALKGAAJAK2
Trifluoroacetic Acid SCHEMBL4363125 0.90 JAK2 (0.40) ALKGAARORCJAK2JAK1
Trifluoroacetic Acid SCHEMBL4361197 0.90 ALK (0.37) SMN1; SMN2ALDH1A1CYP3A4ALKUSP2
SCHEMBL13622667 0.89 ALK (0.49) SMN1; SMN2POLBALDH1A1CYP3A4CYP2D6

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 SMN1; SMN2 4274/4885POLB 2346/4885ALDH1A1 2511/4885

“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.