Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3570807

O=C(O)C(F)(F)F.O=C1NC(=O)c2ccc(I)cc2C1=CNc1ccc(N2CCC(CO)CC2)cc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
WEE1 P30291 1/20 0.32
CDK14 O94921 2/20 0.32
CCNY Q8ND76 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
CSF1R P07333 1/20 0.32
JAK2 O60674 2/20 0.31
LRRK2 Q5S007 1/20 0.31
PTGES O14684 2/20 0.31
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
APP P05067 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
Trifluoroacetic Acid SCHEMBL3570797 1.00 SYK (0.35) SYKL3MBTL1WEE1CDK14CCNY
SCHEMBL3570580 0.93 SYK (0.37) SYKL3MBTL1WEE1KDM4EALDH1A1
SCHEMBL3570584 0.93 SYK (0.37) SYKL3MBTL1WEE1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3568696 0.90 KDM4E (0.33) L3MBTL1CDK14CCNYKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3568698 0.90 KDM4E (0.33) L3MBTL1CDK14CCNYKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3566373 0.90 PDK2 (0.40) SYKCDK14CCNYKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3566369 0.90 PDK2 (0.40) SYKCDK14CCNYKDM4EALDH1A1
SCHEMBL13344140 0.88 SYK (0.36) SYKL3MBTL1KDM4EALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL3572477 0.87 CDK14 (0.38) SYKL3MBTL1CDK14CCNYKDM4E
Trifluoroacetic Acid SCHEMBL3572482 0.87 CDK14 (0.38) SYKL3MBTL1CDK14CCNYKDM4E

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-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 SYK 3389/4885L3MBTL1 838/4885WEE1 382/4885

“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.