Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3610262

CSc1ccc2cc(C(=O)N[C@H]3CCNC3)[nH]c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.41
MLLT1 Q03111 1/20 0.40
HDAC4 P56524 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDR P35968 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
PARP1 P09874 1/20 0.37
SLC2A1 P11166 1/20 0.36
SCN9A Q15858 1/20 0.36
GHSR Q92847 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL3595470 1.00 SMYD3 (0.41) SMYD3MLLT1HDAC4HRH4HRH3
SCHEMBL3602776 0.93 SMYD3 (0.46) SMYD3MLLT1KDRPARP1HPGD
SCHEMBL3602771 0.93 SMYD3 (0.46) SMYD3MLLT1KDRPARP1HPGD
SCHEMBL3612356 0.93 SMYD3 (0.46) SMYD3MLLT1KDRPARP1HPGD
SCHEMBL3613390 0.87 MLLT1 (0.46) MLLT1PARP1GHSRCYP1A2HPGD
SCHEMBL3613385 0.87 MLLT1 (0.46) MLLT1PARP1GHSRCYP1A2HPGD
Trifluoroacetic Acid SCHEMBL3612516 0.85 SMYD3 (0.41) SMYD3MLLT1HDAC4HRH4HRH3
Trifluoroacetic Acid SCHEMBL3610931 0.85 SMYD3 (0.49) SMYD3MLLT1HDAC4HDAC6
Trifluoroacetic Acid SCHEMBL3601873 0.85 DRD4 (0.46) SMYD3MLLT1HDAC4HRH4HRH3
Trifluoroacetic Acid SCHEMBL3610457 0.85 SMYD3 (0.49) SMYD3MLLT1HDAC4HDAC6

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 WO 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT SMYD3 811/4885MLLT1 2603/4885HDAC4 134/4885

“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.