Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL707289

COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)CO2.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.54
CHRM1 P11229 3/20 0.47
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMO O15229 1/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 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
SCHEMBL704556 0.92 KCNH2 (0.61) KCNH2CHRM1NPC1POLBALOX15
Trifluoroacetic Acid SCHEMBL706978 0.89 KCNH2 (0.45) KCNH2CHRM1NPC1POLBALOX15
SCHEMBL708910 0.85 KCNH2 (0.61) KCNH2CHRM1CYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL705051 0.84 KCNH2 (0.51) KCNH2CHRM1
Trifluoroacetic Acid SCHEMBL708560 0.84 KCNH2 (0.53) KCNH2CHRM1POLBMAPTCYP3A4
SCHEMBL921108 0.82 KCNH2 (0.63) KCNH2CHRM1
Trifluoroacetic Acid SCHEMBL707109 0.82 CHRM1 (0.49) KCNH2CHRM1MAPTHSD17B10
SCHEMBL708406 0.81 KCNH2 (0.55) KCNH2CHRM1MAPTHSD17B10CYP3A4
SCHEMBL707700 0.80 KCNH2 (0.62) KCNH2CHRM1CYP3A4CYP2C9CYP2C19
SCHEMBL706836 0.80 KCNH2 (0.48) KCNH2NPC1POLBALOX15MAPT

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 6 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

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 KCNH2 4242/4885CHRM1 4854/4885NPC1 3537/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885CHRM1 4854/4885NPC1 3537/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885CHRM1 4854/4885NPC1 3537/4885

“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.