Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2202886

CCOc1ccccc1N1CCN(C(=O)c2ccc(C(=O)C(F)(F)F)s2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
MAPT P10636 4/20 0.57
CYP2C9 P11712 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC1 Q13547 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.53
USP2 O75604 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
HCRTR1 O43613 1/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48

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
SCHEMBL17707555 0.97 KMT2A (0.60) KMT2AMEN1MAPTCYP2C9HDAC6
Trifluoroacetic Acid SCHEMBL2204257 0.83 HDAC6 (0.56) MAPTCYP2C9HDAC6HDAC1USP2
Trifluoroacetic Acid SCHEMBL17707596 0.82 HDAC6 (0.60) KMT2AMEN1MAPTCYP2C9HDAC6
SCHEMBL17707682 0.80 HDAC6 (0.59) MAPTCYP2C9HDAC6HDAC1SMN1; SMN2
SCHEMBL17707630 0.78 HDAC6 (0.63) KMT2AMEN1MAPTCYP2C9HDAC6
Trifluoroacetic Acid SCHEMBL2203425 0.76 KDM4E (0.56) KMT2AMEN1MAPTCYP2C9HDAC6
Trifluoroacetic Acid SCHEMBL2200420 0.76 HDAC6 (0.75) KMT2AMEN1MAPTCYP2C9HDAC6
Trifluoroacetic Acid SCHEMBL2202311 0.76 KMT2A (0.65) KMT2AMEN1CYP2C9HDAC6HDAC1
Trifluoroacetic Acid SCHEMBL2205598 0.76 HDAC6 (0.53) KMT2AMEN1CYP2C9HDAC6HDAC1
Trifluoroacetic Acid SCHEMBL2203487 0.75 CYP2C9 (0.94) KMT2AMEN1MAPTCYP2C9HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 KMT2A 84/4885MEN1 4272/4885MAPT 1028/4885

“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.