Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3430565

O=C(O)C(F)(F)F.O=C1CNCc2ccccc2N1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
PDK2 Q15119 1/20 0.46
NPC1 O15118 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
MAPT P10636 3/20 0.42
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.35
GAA P10253 1/20 0.34
HTR5A P47898 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 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
SCHEMBL2061729 0.85 AHR (0.61) AHRPDK2NPC1MAPK13MAPK12
Oxindole SCHEMBL29921679 0.83 AHR (0.70) AHRPDK2NPC1MAPK13MAPK12
Oxindole SCHEMBL4488236 0.83 AHR (0.70) AHRPDK2NPC1MAPK13MAPK12
Trifluoroacetic Acid SCHEMBL4782632 0.82 PNMT (0.43) MAPTALDH1A1HTTKDM1AKDM4E
Trifluoroacetic Acid SCHEMBL526603 0.81 NPC1 (0.71) AHRPDK2NPC1MAPK13MAPK12
Trifluoroacetic Acid SCHEMBL787514 0.81 HTR5A (0.36) AHRNPC1MAPTHTR5AMEN1
Trifluoroacetic Acid SCHEMBL527380 0.79 MAPT (0.73) AHRPDK2NPC1MAPK13MAPK12
Trifluoroacetic Acid SCHEMBL8836917 0.75 LRRK2 (0.42) NPC1MAPTALDH1A1HTTMEN1
Trifluoroacetic Acid SCHEMBL17506387 0.72 DPP4 (0.39) AHRPDK2NPC1MAPK13MAPK12
1,2,3,4-Tetrahydroisoquinoline SCHEMBL29710285 0.71 PNMT (0.66) KDM1A

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 AHR 1903/4885PDK2 707/4885NPC1 663/4885

“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.