Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5440751

CN(C)CCNC(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
LMNA P02545 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
CSNK2A1 P68400 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
SCN9A Q15858 1/20 0.34
ATM Q13315 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL5440756 0.89 PRKCA (0.41) PRKCAMMP12LMNAMAPTTP53
SCHEMBL5402907 0.86 PRKCA (0.44) PRKCAMMP12F7F3SCN9A
Trifluoroacetic Acid SCHEMBL5442684 0.86 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2CYP3A4
Trifluoroacetic Acid SCHEMBL5441127 0.83 PRKCA (0.41) PRKCAMMP12KDM4E
SCHEMBL5433824 0.82 PRKCA (0.46) PRKCAMMP12TP53SCN9AOPRM1
SCHEMBL5440517 0.81 PRKCA (0.43) PRKCAMMP12MAPTTP53F7
SCHEMBL14448761 0.81 PRKCA (0.43) PRKCAMMP12LMNAF7F3
SCHEMBL5434953 0.81 F2 (0.44) PRKCAMMP12LMNATP53F7
SCHEMBL5437948 0.81 HDAC6 (0.43) PRKCAMMP12LMNA
SCHEMBL5434064 0.81 PRKCA (0.41) PRKCAMMP12SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US claimed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT PRKCA 4676/4885MMP12 3218/4885LMNA 3881/4885

“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.