Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3400733

Nc1cc(F)c(F)cc1CNC(C(=O)O)C(=O)OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
PLAU P00749 2/20 0.36
OPRK1 P41145 6/20 0.36
CTRB1 P17538 2/20 0.36
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LNPEP Q9UIQ6 2/20 0.35
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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 SCHEMBL3400737 0.72 PTGDR2 (0.41) ALDH1A1HDAC3HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL21925539 0.69 LTA4H (0.49) PLAUALDH1A1
SCHEMBL2747511 0.68 ALDH1A1 (0.47) CTRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL2367354 0.67 ALDH1A1 (0.50) CTRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL27766342 0.67 ALDH1A1 (0.50) CTRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL28278079 0.67 ALPI (0.54) CTRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL7550184 0.66 LTA4H (0.51) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7550182 0.66 LTA4H (0.51) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL28101939 0.66 ALDH1A1 (0.79) ALDH1A1
Benzyl Carbamate SCHEMBL27962908 0.66 ALDH1A1 (0.52) PLAUALDH1A1

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 ITGA4 1457/4885ITGB7 4034/4885PLAU 312/4885

“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.