Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3566172

CN(C)CCNC(=O)C1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(I)cc43)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.38
CDK14 O94921 4/20 0.37
CCNY Q8ND76 4/20 0.37
CHRM2 P08172 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL3564164 0.95 TP53 (0.36) CHRM4TP53POLBATM
SCHEMBL3564160 0.95 TP53 (0.36) CHRM4TP53POLBATM
Trifluoroacetic Acid SCHEMBL3572477 0.89 CDK14 (0.38) CHRM4CDK14CCNYATM
Trifluoroacetic Acid SCHEMBL3572482 0.89 CDK14 (0.38) CHRM4CDK14CCNYATM
Trifluoroacetic Acid SCHEMBL4694994 0.89 CDK14 (0.38) CHRM4CDK14CCNYATM
Trifluoroacetic Acid SCHEMBL3566373 0.86 PDK2 (0.40) CDK14CCNY
Trifluoroacetic Acid SCHEMBL3566369 0.86 PDK2 (0.40) CDK14CCNY
Trifluoroacetic Acid SCHEMBL3571095 0.85 PDK2 (0.36) CHRM4CDK14CCNY
Trifluoroacetic Acid SCHEMBL3571100 0.85 PDK2 (0.36) CHRM4CDK14CCNY
Trifluoroacetic Acid SCHEMBL3570807 0.83 SYK (0.35) CDK14CCNY

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 CHRM4 3103/4885CDK14 2498/4885CCNY 467/4885

“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.