Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4774158

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.55
GAA P10253 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 2/20 0.46
HTT P42858 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
BACE1 P56817 1/20 0.45
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
SLC2A1 P11166 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL4768583 0.93 TMPRSS2 (0.62) TMPRSS2GAANPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL4765765 0.87 TP53 (0.50) GAANPC1RAB9ATP53NFKB1
Trifluoroacetic Acid SCHEMBL4765546 0.86 MEN1 (0.53) NPC1RAB9ATP53NFKB1HTT
Trifluoroacetic Acid SCHEMBL4768284 0.85 HRH3 (0.46) NPC1RAB9ATP53NFKB1HTT
Trifluoroacetic Acid SCHEMBL4765223 0.85 MEN1 (0.44) TMPRSS2GAANPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL4770456 0.84 NPC1 (0.52) NPC1RAB9ATP53NFKB1HTT
Trifluoroacetic Acid SCHEMBL4767916 0.84 TMPRSS2 (0.55) TMPRSS2GAANPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL4772070 0.84 KMT2A (0.50) NPC1RAB9ATP53HTTMAPT
Trifluoroacetic Acid SCHEMBL4770314 0.84 HRH3 (0.52) NPC1RAB9ATP53NFKB1HTT
SCHEMBL4767924 0.83 TMPRSS2 (0.43) TMPRSS2GAANPC1RAB9ATP53

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 TMPRSS2 1089/4885GAA 984/4885NPC1 2009/4885

“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.