Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6493793

NCCNC(=O)c1ccc(C(=O)C[C@](N)(NS(=O)(=O)c2ccccc2)C(=O)O)s1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.43
HDAC6 Q9UBN7 6/20 0.43
HDAC4 P56524 5/20 0.43
HDAC3 O15379 4/20 0.43
ITGB3 P05106 7/20 0.42
ITGAV P06756 7/20 0.42
ITGA2B P08514 5/20 0.42
ITGB5 P18084 4/20 0.41
ITGB1 P05556 3/20 0.41
ITGA5 P08648 3/20 0.41
F2 P00734 5/20 0.35
TMPRSS6 Q8IU80 5/20 0.35
CSNK1D P48730 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
SCHEMBL6494885 0.96 HDAC3 (0.39) HDAC1HDAC6HDAC4HDAC3ITGB3
Trifluoroacetic Acid SCHEMBL6493786 0.78 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6494871 0.70 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL1580262 0.70 CYP3A4 (0.54) HDAC1HDAC3F2TMPRSS6
SCHEMBL6503108 0.66 NPC1 (0.44) HDAC1HDAC6HDAC4HDAC3
SCHEMBL14676221 0.66 ATM (0.44)
Trifluoroacetic Acid SCHEMBL15918326 0.65 GAA (0.56)
SCHEMBL6494273 0.65 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL6499561 0.64 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL6504643 0.64 MMP12 (0.46) HDAC1HDAC6HDAC4HDAC3ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960594-B2 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer SHIRE BIOCHEM INC. (CA) 2005-11-01 US disclosed
EP-1091952-B1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER IAF BIOCHEM INT (CA) 2003-10-29 EP disclosed
US-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer BIOCHEM PHARMA INC. 2002-09-26 US disclosed
EP-1091952-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC (CA) 2001-04-18 EP disclosed
WO-2000000486-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC. (US) 2000-01-06 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-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer ITGB5, ITGB2, ITGA2 HDAC1 100/4885HDAC6 258/4885HDAC4 311/4885

“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.