Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3611331

O=C(/C=C\c1ccc(Oc2ccccc2)nc1)NC1CCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
CYP1A2 P05177 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 1/20 0.44
KMT2A Q03164 1/20 0.43
MAOB P27338 2/20 0.43
EPHX1 P07099 1/20 0.41
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41

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 SCHEMBL3611333 1.00 HPGDS (0.48) HPGDSCYP1A2NPC1RAB9AKDM4E
SCHEMBL8171051 0.94 CYP1A2 (0.53) HPGDSCYP1A2NPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL3620371 0.81 NPC1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL3620370 0.81 NPC1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL8175136 0.74 NPC1 (0.57) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3179345 0.73 SRD5A2 (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3179354 0.73 SRD5A2 (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL28456976 0.73 CYP1A2 (0.73) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL28891768 0.73 CYP1A2 (0.73) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL13169532 0.73 CYP1A2 (0.73) CYP1A2NPC1RAB9AKDM4EALDH1A1

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
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 HPGDS 25/4885CYP1A2 67/4885NPC1 4260/4885

“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.