Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL705792

N#Cc1ccc2c(c1)N(CCN1CCC(N)CC1=O)C(=O)CO2.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
KMO O15229 1/20 0.39
USP30 Q70CQ3 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 1/20 0.35
PIK3CG P48736 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
USP2 O75604 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL705942 0.92 KCNH2 (0.49) KCNH2KMOUSP30ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL708560 0.89 KCNH2 (0.53) KCNH2KMOUSP30ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL706978 0.84 KCNH2 (0.45) KCNH2KMOALDH1A1TSHRHTT
SCHEMBL923797 0.82 KCNH2 (0.53) KCNH2KMOTSHRHTTMEN1
SCHEMBL705793 0.80 ELANE (0.31) KCNH2FFAR4
SCHEMBL705628 0.80 KCNH2 (0.44) KCNH2KMOUSP30ALDH1A1TSHR
SCHEMBL708349 0.79 KCNH2 (0.59) KCNH2KMOUSP30PIK3CGCYP3A4
SCHEMBL704085 0.76 KCNH2 (0.47) KCNH2KMOUSP30ALDH1A1TSHR
SCHEMBL704086 0.76 KCNH2 (0.47) KCNH2KMOUSP30ALDH1A1TSHR
SCHEMBL707118 0.75 KCNH2 (0.50) KCNH2ALDH1A1TSHRPOLBMAPT

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 7 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
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 KCNH2 4242/4885KMO 2826/4885USP30 2035/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885KMO 2826/4885USP30 2035/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885KMO 2826/4885USP30 2035/4885

“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.