Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL707109

COc1ccc2c(c1)N(CCCN1CCNCC1)C(=O)CO2.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.49
DRD2 P14416 4/20 0.46
HTR2A P28223 2/20 0.46
MCHR1 Q99705 2/20 0.46
KCNH2 Q12809 3/20 0.45
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
TP53 P04637 1/20 0.42
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
TSHR P16473 1/20 0.42
BACE1 P56817 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL706080 0.92 DRD2 (0.53) CHRM1DRD2HTR2AMCHR1KCNH2
Trifluoroacetic Acid SCHEMBL704661 0.84 KCNH2 (0.43) CHRM1DRD2KCNH2DRD4DRD3
Trifluoroacetic Acid SCHEMBL707289 0.82 KCNH2 (0.54) CHRM1KCNH2MAPTHSD17B10
SCHEMBL30665902 0.81 DRD2 (0.58) CHRM1DRD2HTR2AMCHR1KCNH2
SCHEMBL707110 0.78 CHRM1 (0.38) CHRM1DRD2KCNH2DRD4DRD3
SCHEMBL4102444 0.77 CHRM1 (0.67) CHRM1DRD2HTR2AMCHR1KCNH2
Trifluoroacetic Acid SCHEMBL706978 0.76 KCNH2 (0.45) CHRM1KCNH2TP53TSHRMAPT
SCHEMBL4047656 0.75 L3MBTL1 (0.53) CHRM1DRD2HTR2AMCHR1KCNH2
SCHEMBL708034 0.74 L3MBTL1 (0.52) KCNH2TSHRMAPTHSD17B10
SCHEMBL2947181 0.73 HTT (0.70) TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (3 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CHRM1 4854/4885DRD2 3243/4885HTR2A 4860/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CHRM1 4854/4885DRD2 3243/4885HTR2A 4860/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CHRM1 4854/4885DRD2 3243/4885HTR2A 4860/4885

“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.