Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17201560

C[S+]([O-])c1cnnc(-c2ccc(C(=O)O)s2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGDS O60760 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HDAC6 Q9UBN7 4/20 0.35
HDAC1 Q13547 3/20 0.35
DAO P14920 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL17201563 0.83 HDAC6 (0.32) ALDH1A1HDAC6HDAC1HDAC3HDAC4
SCHEMBL17201629 0.79 ALDH1A1 (0.33) ALDH1A1
Trifluoroacetic Acid SCHEMBL17201689 0.78 CTSS (0.39) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL17201692 0.70 KDM4E (0.46) ALDH1A1HPGDKDM4EGAAPOLB
Trifluoroacetic Acid SCHEMBL17201528 0.68 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL17201568 0.66 CTSS (0.44) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL17201612 0.64 KDM4E (0.58) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL17201611 0.62 KDM4E (0.63) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL17201571 0.62 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL593023 0.61 MEN1 (0.65) ALDH1A1HPGDKDM4EGAAPOLB

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
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT ALDH1A1 886/4885HPGD 614/4885KDM4E 997/4885

“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.