Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4700336

N[C@H]1CCN(OCc2ccccc2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.40
CASP1 P29466 1/20 0.39
F2 P00734 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
FOLH1 Q04609 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4700417 1.00 PREP (0.40) PREPCASP1F2SMN1; SMN2CYP2C19
SCHEMBL7845558 0.89 ALDH1A1 (0.44) PREPSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL13244922 0.89 ALDH1A1 (0.44) PREPSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL4701620 0.89 ALDH1A1 (0.44) PREPSMN1; SMN2CYP2C19NPC1RAB9A
Hydrochloric Acid SCHEMBL4701828 0.88 ALDH1A1 (0.43) PREPSMN1; SMN2CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL4700390 0.88 ALDH1A1 (0.43) PREPSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL13244810 0.84 ALDH1A1 (0.42) PREPSMN1; SMN2CYP2C19NPC1RAB9A
Bromide SCHEMBL3119410 0.83 ALDH1A1 (0.41) PREPSMN1; SMN2CYP2C19NPC1RAB9A
Bromide SCHEMBL3119408 0.83 ALDH1A1 (0.41) PREPSMN1; SMN2CYP2C19NPC1RAB9A
Bromide SCHEMBL3119404 0.82 PREP (0.40) PREPSMN1; SMN2CYP2C19NPC1RAB9A

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-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-7132434-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050026990-A1 Novel metalloproteinase ihibitors ASTRAZENECA AB (SE) 2005-02-03 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-20050026990-A1 Novel metalloproteinase ihibitors MMP12, MMP1, MMP16 PREP 66/4885CASP1 675/4885F2 2132/4885

“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.