Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4357972

O=C(Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2)N1CCN(c2ccccn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
ALK Q9UM73 5/20 0.45
GAA P10253 1/20 0.43
TRPV1 Q8NER1 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
NAMPT P43490 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 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
SCHEMBL1075248 0.95 KDM4E (0.49) KDM4EALDH1A1HPGDALKGAA
Trifluoroacetic Acid SCHEMBL4364493 0.94 ALK (0.52) KDM4EALDH1A1HPGDALKGAA
Trifluoroacetic Acid SCHEMBL4368457 0.93 ALK (0.44) KDM4EALDH1A1HPGDALKGAA
Trifluoroacetic Acid SCHEMBL4365359 0.92 ALK (0.46) KDM4EALDH1A1HPGDALKGAA
Trifluoroacetic Acid SCHEMBL4365565 0.92 ALK (0.47) KDM4EALDH1A1ALKGAATRPV1
Trifluoroacetic Acid SCHEMBL4364650 0.91 ALK (0.50) ALKTRPV1JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4357828 0.91 KDM4E (0.45) KDM4EALDH1A1ALKTRPV1JAK2
Trifluoroacetic Acid SCHEMBL4366735 0.90 ALK (0.45) KDM4EALKTRPV1JAK2JAK1
Trifluoroacetic Acid SCHEMBL4352136 0.89 ALK (0.45) KDM4EALKTRPV1JAK2JAK1
Trifluoroacetic Acid SCHEMBL4356313 0.89 ALK (0.48) ALKTRPV1JAK2JAK1TYK2

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 KDM4E 248/4885ALDH1A1 2511/4885HPGD 4536/4885

“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.