Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4768043

COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)CCN(C3CCC3)CC4)c2C)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
PKM P14618 2/20 0.54
HRH3 Q9Y5N1 7/20 0.45
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SLC2A1 P11166 1/20 0.42
HRH1 P35367 1/20 0.41
P2RY12 Q9H244 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
SCHEMBL4772163 0.94 NPC1 (0.57) NPC1RAB9APKMHRH3MAPT
Trifluoroacetic Acid SCHEMBL4771045 0.89 RAB9A (0.53) NPC1RAB9APKMSLC2A1
SCHEMBL4768108 0.86 NPC1 (0.51) NPC1RAB9APKMHRH3MAPT
SCHEMBL4774462 0.86 RAB9A (0.59) NPC1RAB9APKM
Hydrochloric Acid SCHEMBL4776625 0.85 NPC1 (0.50) NPC1RAB9APKMHRH3MAPT
SCHEMBL4765305 0.84 RAB9A (0.48) NPC1RAB9APKMHRH3P2RY12
Hydrochloric Acid SCHEMBL4774495 0.84 RAB9A (0.47) NPC1RAB9APKMHRH3P2RY12
Trifluoroacetic Acid SCHEMBL4767946 0.83 HRH3 (0.56) NPC1RAB9AHRH3MAPTTP53
Trifluoroacetic Acid SCHEMBL4765179 0.81 SLC2A1 (0.44) HRH3MAPTTP53THRBSLC2A1
Trifluoroacetic Acid SCHEMBL4765164 0.80 MAPT (0.49) HRH3MAPTTP53THRBSLC2A1

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 NPC1 2009/4885RAB9A 2307/4885PKM 1656/4885

“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.