Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6354048

CC(N)c1ccc(C(=O)NN)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.45
HDAC1 Q13547 10/20 0.45
HDAC4 P56524 10/20 0.45
HDAC3 O15379 9/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 3/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DAO P14920 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL12319067 0.78 HDAC1 (0.53) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL2409095 0.74 DAO (0.60) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL12272028 0.74 DAO (0.60) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL1587163 0.73 ALDH1A1 (0.51) HDAC6HDAC1HDAC4HDAC3ALDH1A1
Hydrochloric Acid SCHEMBL2406962 0.73 DAO (0.58) ALDH1A1KDM4EPOLBMAPTCYP2C9
Hydrochloric Acid SCHEMBL2406963 0.73 DAO (0.58) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL14448557 0.70 NPSR1 (0.50) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL2406988 0.70 NPSR1 (0.50) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL276955 0.70 ALDH1A1 (0.58) HDAC6HDAC1HDAC4HDAC3ALDH1A1
Hydrochloric Acid SCHEMBL2408434 0.69 NPSR1 (0.49) ALDH1A1KDM4EPOLBMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 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-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS HDAC6 40/4885HDAC1 109/4885HDAC4 180/4885

“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.