Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3085041

CN(CCN1CCCC1)C1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.77
MMP12 P39900 1/20 0.77
NR1I2 O75469 7/20 0.37
HRH3 Q9Y5N1 6/20 0.34
SCN9A Q15858 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.32
CACNA1B Q00975 2/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3085631 0.92 PRKCA (0.80) PRKCAMMP12NR1I2SCN9ACYP3A4
Mk-3281 SCHEMBL3085872 0.91 PRKCA (0.92) PRKCAMMP12NR1I2SCN9ACYP3A4
Mk-3281 SCHEMBL3092945 0.91 PRKCA (0.92) PRKCAMMP12NR1I2SCN9ACYP3A4
Mk-3281 SCHEMBL3086966 0.91 PRKCA (0.92) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3085303 0.91 PRKCA (0.78) PRKCAMMP12NR1I2HRH3SCN9A
SCHEMBL3090823 0.88 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3809585 0.87 PRKCA (0.75) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL2274295 0.87 PRKCA (0.88) PRKCAMMP12NR1I2SCN9ACYP3A4
Mk-3281 SCHEMBL3073622 0.87 PRKCA (1.00) PRKCAMMP12NR1I2SCN9ACYP3A4
Mk-3281 SCHEMBL31554854 0.87 PRKCA (1.00) PRKCAMMP12NR1I2SCN9ACYP3A4

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US claimed
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PRKCA 3874/4885MMP12 3319/4885NR1I2 144/4885

“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.