Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3607463

O=C(N[C@H]1CCNC1)c1cc2ccccc2n1Br.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.43
ACSS2 Q9NR19 2/20 0.42
KHK P50053 3/20 0.40
HDAC4 P56524 2/20 0.40
KDR P35968 1/20 0.39
CNR2 P34972 1/20 0.39
KDM1A O60341 1/20 0.39
F10 P00742 5/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL3598401 0.79 CHRNA7 (0.54) HTR4ACSS2CNR2
SCHEMBL3598403 0.79 CHRNA7 (0.54) HTR4ACSS2CNR2
Trifluoroacetic Acid SCHEMBL3606654 0.75 KDR (0.52) KDR
Trifluoroacetic Acid SCHEMBL3601240 0.71 KDM4E (0.49) ACSS2KHKHDAC4KDRHDAC6
Trifluoroacetic Acid SCHEMBL3602215 0.71 KDM4E (0.49) ACSS2KHKHDAC4KDRHDAC6
Trifluoroacetic Acid SCHEMBL3599367 0.71 HRH4 (0.47) HDAC4HDAC6HRH4CDK4CDK2
Trifluoroacetic Acid SCHEMBL4259150 0.70 HDAC4 (0.56) HDAC4CHRNA1CHRNB2CHRNB4CHRNA4
Trifluoroacetic Acid SCHEMBL3613494 0.70 SMYD3 (0.61) HDAC4HRH4HRH3CDK4CDK2
Trifluoroacetic Acid SCHEMBL3596233 0.70 SMYD3 (0.61) HDAC4HRH4HRH3CDK4CDK2
Trifluoroacetic Acid SCHEMBL29779140 0.70 USP30 (0.50) HDAC4HDAC6HRH4HRH3CDK4

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 HTR4 247/4885ACSS2 2143/4885KHK 2769/4885

“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.