Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21352525

COc1ccc(-c2nc3ccc(C(=O)NO)cc3s2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.53
HDAC3 O15379 6/20 0.50
PIK3CG P48736 2/20 0.48
APP P05067 2/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 4/20 0.48
PIK3CD O00329 1/20 0.47
PIP5K1C O60331 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
KDM4E B2RXH2 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL19029192 0.93 HDAC6 (0.59) HDAC6HDAC3PIK3CGAPPHDAC8
Trifluoroacetic Acid SCHEMBL21352565 0.90 PIK3CD (0.49) HDAC6HDAC3PIK3CGAPPHDAC8
Trifluoroacetic Acid SCHEMBL21352546 0.86 HDAC6 (0.50) HDAC6HDAC3APPHDAC8HDAC1
SCHEMBL21352526 0.86 APP (0.50) HDAC6HDAC3PIK3CGAPPHDAC8
SCHEMBL2055188 0.86 APP (0.58) HDAC6HDAC3PIK3CGAPPPIK3CD
SCHEMBL2055193 0.84 KDM4E (0.60) PIK3CGAPPPIK3CDPIP5K1CPIK3CA
Trifluoroacetic Acid SCHEMBL21352534 0.83 HDAC6 (0.55) HDAC6HDAC3PIK3CGHDAC8HDAC1
Trifluoroacetic Acid SCHEMBL21352477 0.83 HDAC6 (0.48) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL19029081 0.82 PIK3CG (0.55) HDAC6HDAC3PIK3CGAPPHDAC8
SCHEMBL2100098 0.80 APP (0.54) PIK3CGAPPPIK3CDPIP5K1CPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394052-B1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2021-07-28 EP disclosed
US-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity KANCERA AB (SE) 2020-05-19 US disclosed
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2019-09-19 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 (2 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-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity HDAC1, HDAC11, HDAC10 HDAC6 10/4885HDAC3 12/4885PIK3CG 2613/4885
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC1, HDAC11, HDAC10 HDAC6 10/4885HDAC3 12/4885PIK3CG 2613/4885

“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.