Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4357828

O=C(Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2)N1CCN(c2ccc(C(F)(F)F)cn2)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
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
ALK Q9UM73 4/20 0.43
TRPV1 Q8NER1 2/20 0.43
PANK3 Q9H999 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
DGAT1 O75907 1/20 0.40
CNR2 P34972 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL1076581 0.97 KDM4E (0.48) KDM4ELMNAHTTSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL4356681 0.91 TRPV1 (0.46) LMNASMN1; SMN2MAPTALKTRPV1
Trifluoroacetic Acid SCHEMBL4361072 0.91 ALK (0.43) KDM4ELMNAHTTSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL4357972 0.91 KDM4E (0.45) KDM4ELMNAHTTSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL4368457 0.90 ALK (0.44) KDM4EALKTRPV1JAK2JAK1
Trifluoroacetic Acid SCHEMBL4352136 0.89 ALK (0.45) KDM4EALKTRPV1DGAT1JAK2
Trifluoroacetic Acid SCHEMBL4365565 0.89 ALK (0.47) KDM4ELMNAHTTMAPTALK
Trifluoroacetic Acid SCHEMBL4364650 0.88 ALK (0.50) ALKTRPV1JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4366764 0.88 ALK (0.45) KDM4EHTTMAPTALKTRPV1
Trifluoroacetic Acid SCHEMBL4366735 0.88 ALK (0.45) KDM4EMAPTALKTRPV1JAK2

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 248/4885LMNA 4393/4885HTT 2476/4885

“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.