Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4898487

O=C(O)C(Cc1cscn1)CN1C2CCC1CC1(C2)OCc2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.44
AVPR1A P37288 13/20 0.39
AGTR2 P50052 1/20 0.32
OPRD1 P41143 1/20 0.32
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL4888999 0.95 OPRL1 (0.46) OPRL1AVPR1AOPRD1
Trifluoroacetic Acid SCHEMBL4900055 0.91 OPRL1 (0.56) OPRL1AVPR1A
SCHEMBL4898494 0.89 OPRL1 (0.43) OPRL1AVPR1AOPRD1CTSBCTSS
SCHEMBL4695388 0.86 OPRL1 (0.59) OPRL1
SCHEMBL4936147 0.86 OPRL1 (0.57) OPRL1AVPR1AOPRD1
SCHEMBL4797089 0.85 OPRL1 (0.43) OPRL1AVPR1A
Trifluoroacetic Acid SCHEMBL4976084 0.84 OPRL1 (0.62) OPRL1AVPR1A
Citric Acid SCHEMBL4932703 0.84 OPRL1 (0.51) OPRL1AVPR1AOPRD1
SCHEMBL4900056 0.80 OPRL1 (0.54) OPRL1
SCHEMBL4976662 0.79 OPRL1 (0.65) OPRL1AVPR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-28 US disclosed
US-20080200490-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidino Propanamide Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-21 US 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-20080200490-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidino Propanamide Compounds as Orl-1-Receptor Antagonists OPRL1, OPRD1, OGFRL1 OPRL1 1/4885AVPR1A 236/4885AGTR2 178/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 OPRL1 1/4885AVPR1A 464/4885AGTR2 315/4885

“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.