Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4134146

CCN(CC)C(=O)Nc1c[nH]nc1-c1nc2cc(F)c(OCCCN(C)C)cc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
ITK Q08881 1/20 0.49
CACNA1B Q00975 5/20 0.35
CHEK2 O96017 2/20 0.34
CACNA1H O95180 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
ROCK2 O75116 2/20 0.33
ATM Q13315 2/20 0.32
EGFR P00533 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4121801 0.95 SYK (0.53) SYKITKCHEK2CACNA1HHRH4
SCHEMBL4122016 0.90 SYK (0.47) SYKITKCHEK2HRH4ATM
Trifluoroacetic Acid SCHEMBL4129766 0.86 SYK (0.46) SYKITKCHEK2RXFP1KDM4E
SCHEMBL4002962 0.86 SYK (0.43) SYKITKCHEK2HRH4ROCK2
Trifluoroacetic Acid SCHEMBL4133767 0.86 SYK (0.43) SYKITKCACNA1BKDM4EHPGD
SCHEMBL4126777 0.86 SYK (0.42) SYKITKCHEK2CACNA1HHRH4
Trifluoroacetic Acid SCHEMBL4130490 0.85 SYK (0.43) SYKITKKDM4EHPGD
SCHEMBL13373932 0.85 SYK (0.66) SYKITKCHEK2KDM4EHPGD
SCHEMBL4126476 0.85 ITK (0.43) SYKITKCHEK2CACNA1HHRH4
SCHEMBL4121774 0.85 SYK (0.41) SYKITKCHEK2HRH4ROCK2

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-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 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-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF RB1, CCNI, CDK2 SYK 392/4885ITK 1817/4885CACNA1B 4543/4885

“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.