Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4089031

C[Si](C)(C)CCOCn1ccc2c(-c3cnn([C@H]4CC[C@@H](CSc5ccccc5C#N)CC4)c3)ncnc21.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
PAK1 Q13153 1/20 0.31
KDM5A P29375 1/20 0.31
PDE9A O76083 1/20 0.31
CTSS P25774 2/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 1/20 0.30

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 SCHEMBL4089024 1.00 DGAT1 (0.33) DGAT1MAP3K7TAB1PAK1KDM5A
SCHEMBL101904 0.94 KDM5A (0.33) DGAT1MAP3K7TAB1PAK1KDM5A
SCHEMBL101903 0.94 KDM5A (0.33) DGAT1MAP3K7TAB1PAK1KDM5A
SCHEMBL101474 0.84 DGAT1 (0.32) DGAT1
SCHEMBL101473 0.84 DGAT1 (0.32) DGAT1
SCHEMBL30663349 0.84 DGAT1 (0.32) DGAT1
SCHEMBL130538 0.82 ALK (0.31) KDM5A
SCHEMBL130539 0.82 ALK (0.31) KDM5A
SCHEMBL101798 0.79 ALK (0.32) MAP3K7KDM5AJAK2JAK1
SCHEMBL101799 0.79 ALK (0.32) MAP3K7KDM5AJAK2JAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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 (2 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 DGAT1 4526/4885MAP3K7 35/4885TAB1 654/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 DGAT1 4526/4885MAP3K7 35/4885TAB1 654/4885

“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.