Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3400737

Nc1cc(F)c(F)cc1CN(CC(=O)O)C(=O)OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TBXA2R P21731 2/20 0.41
PTGIR P43119 2/20 0.41
PTGDR Q13258 2/20 0.41
GYS1 P13807 2/20 0.36
CCR6 P51684 1/20 0.36
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL2913482 0.77 RAB9A (0.46) CYP3A4ALDH1A1
SCHEMBL3400744 0.75 SYK (0.41) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL2787581 0.75 CCR6 (0.50) CCR6PAX8ALDH1A1
SCHEMBL801192 0.73 CCR6 (0.54) CCR6PAX8ALDH1A1
SCHEMBL29144366 0.72 CCR6 (0.46) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
Trifluoroacetic Acid SCHEMBL3400733 0.72 ITGA4 (0.39) ALDH1A1HDAC3HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL14966519 0.72 BMP1 (0.38) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
Trifluoroacetic Acid SCHEMBL7411923 0.71 CCR6 (0.43) CCR6PAX8ALDH1A1
SCHEMBL13500128 0.71 CCR6 (0.45) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
Trifluoroacetic Acid SCHEMBL14966713 0.70 CCR6 (0.39) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 PTGDR2 2156/4885CYP3A4 8/4885CYP2C9 38/4885

“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.