Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3601873

O=C(N[C@@H]1CCNC1)c1cc2ccc(Br)cc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
MLLT1 Q03111 1/20 0.42
HDAC4 P56524 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
GPR183 P32249 2/20 0.39
KDR P35968 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PARP1 P09874 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3599029 0.92 DRD4 (0.52) DRD4MLLT1SMYD3KDRHRH4
SCHEMBL3599033 0.92 DRD4 (0.52) DRD4MLLT1SMYD3KDRHRH4
SCHEMBL3599027 0.92 DRD4 (0.52) DRD4MLLT1SMYD3KDRHRH4
Trifluoroacetic Acid SCHEMBL3615735 0.92 MLLT1 (0.49) MLLT1HDAC4SMYD3KDRHDAC6
Trifluoroacetic Acid SCHEMBL3610931 0.88 SMYD3 (0.49) MLLT1HDAC4SMYD3HDAC6
Trifluoroacetic Acid SCHEMBL3610457 0.88 SMYD3 (0.49) MLLT1HDAC4SMYD3HDAC6
Trifluoroacetic Acid SCHEMBL3606654 0.86 KDR (0.52) MLLT1KDRPARP1
SCHEMBL3612490 0.86 DRD4 (0.50) DRD4MLLT1HRH4PARP1
SCHEMBL3612493 0.86 DRD4 (0.50) DRD4MLLT1HRH4PARP1
Trifluoroacetic Acid SCHEMBL3612516 0.86 SMYD3 (0.41) MLLT1HDAC4SMYD3KDRHRH4

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 1 patent. 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

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 DRD4 2343/4885MLLT1 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.