Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4840585

CC(C)(CCn1cnc2cnc(C(=O)O)cc21)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.41
HPGD P15428 1/20 0.37
NR1I2 O75469 1/20 0.36
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
ADRA1A P35348 1/20 0.35
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4894128 0.96 ADRB3 (0.42) ADRB3HPGDNR1I2ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4777048 0.94 ADRB3 (0.41) ADRB3HPGDNR1I2ADRB2ADRB1
SCHEMBL4892540 0.91 ADRB3 (0.43) ADRB3HPGDNR1I2ADRB2ADRB1
SCHEMBL4775536 0.91 ADRB3 (0.42) ADRB3HPGDNR1I2ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4645770 0.89 ADRB3 (0.42) ADRB3HPGDNR1I2ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4908055 0.89 ADRB3 (0.46) ADRB3HPGDNR1I2ADRB2ADRB1
SCHEMBL4892535 0.89 ADRB3 (0.38) ADRB3HPGDNR1I2KEAP1NFE2L2
Trifluoroacetic Acid SCHEMBL4605859 0.89 ADRB3 (0.42) ADRB3HPGDNR1I2ADRA1A
SCHEMBL4894075 0.88 ADRB3 (0.43) ADRB3HPGDNR1I2ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4914489 0.88 ADRB3 (0.41) ADRB3HPGDNR1I2ADRB2KEAP1

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
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
EP-1945304-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-23 EP disclosed
WO-2007048843-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO 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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs ADRB3, ADRB2, ADRB1 ADRB3 1/4885HPGD 1587/4885NR1I2 357/4885

“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.