Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6249083

Cn1c(=O)n(C2CCNCC2)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.45
HSD11B1 P28845 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
PARP1 P09874 2/20 0.43
PARP2 Q9UGN5 2/20 0.43
TNKS O95271 1/20 0.43
CYP3A4 P08684 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
HPD P32754 2/20 0.40
CRHR1 P34998 1/20 0.40

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
SCHEMBL2986176 0.88 DDB1 (0.54) CTSSHSD11B1DDB1CRBNPARP1
Hydrochloric Acid SCHEMBL2858713 0.87 DDB1 (0.52) CTSSHSD11B1DDB1CRBNPARP1
Trifluoroacetic Acid SCHEMBL3765036 0.84 PRKDC (0.42) CTSSPARP1PARP2CRHR1
Trifluoroacetic Acid SCHEMBL6245311 0.81 CRHR1 (0.46) OPRM1OPRL1CRHR1
Trifluoroacetic Acid SCHEMBL6246599 0.81 C5AR1 (0.54) PARP1PARP2CYP3A4
SCHEMBL2636509 0.80 DDB1 (0.51) CTSSHSD11B1DDB1CRBNPARP1
SCHEMBL2636510 0.80 DDB1 (0.51) CTSSHSD11B1DDB1CRBNPARP1
Trifluoroacetic Acid SCHEMBL4446739 0.79 HPD (0.41) HSD11B1OPRM1HPD
Trifluoroacetic Acid SCHEMBL6580575 0.78 OPRL1 (0.42) OPRM1OPRL1
SCHEMBL23937829 0.78 DDB1 (0.56) CTSSHSD11B1DDB1CRBNCYP3A4

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-1256575-B1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA (JP) 2005-08-17 EP disclosed
US-6916822-B2 Phenoxyalkylamine derivatives useful as opioid δ receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-12 US disclosed
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-07 US disclosed
US-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-11 US disclosed
EP-1256575-A1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-11-13 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 (2 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-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRD1 CTSS 2849/4885HSD11B1 2154/4885DDB1 4719/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 CTSS 3202/4885HSD11B1 1115/4885DDB1 4386/4885

“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.