Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4900631

CC(C)(CCn1cnc(-c2cccc(CC(=O)O)c2)c1)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.39
ADRB2 P07550 6/20 0.38
PHGDH O43175 1/20 0.38
PTGIR P43119 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
SYK P43405 1/20 0.35
ADRB1 P08588 1/20 0.35
MAPT P10636 1/20 0.35
FABP4 P15090 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4904772 0.96 ADRB3 (0.41) ADRB3ADRB2PHGDHPTGIRPIK3CD
Trifluoroacetic Acid SCHEMBL4616140 0.94 ADRB3 (0.40) ADRB3ADRB2PIK3CDPIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL4899089 0.94 ADRB3 (0.40) ADRB3ADRB2PHGDHADRB1
SCHEMBL4899119 0.91 ADRB3 (0.42) ADRB3ADRB2SYKADRB1MAPT
SCHEMBL4900957 0.90 ADRB3 (0.40) ADRB3ADRB2PHGDHADRB1
Trifluoroacetic Acid SCHEMBL4902522 0.89 ADRB3 (0.44) ADRB3ADRB2PIK3CDPIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL4619181 0.89 ADRB3 (0.40) ADRB3ADRB2SYKADRB1
SCHEMBL2201260 0.88 ADRB3 (0.44) ADRB3ADRB2ADRB1MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL4898036 0.87 ADRB3 (0.45) ADRB3ADRB2ADRB1
SCHEMBL4894762 0.86 ADRB3 (0.41) ADRB3ADRB2ADRB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 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 (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-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885PHGDH 1668/4885

“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.