Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2832247

COc1cc(O)c2nc(C)c3c(c2c1)N(CCc1ccccc1)CC3.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
RAD52 P43351 1/20 0.39
JAK2 O60674 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MGAT2 Q10469 1/20 0.38
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL456142 0.93 KMT2A (0.49) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL2832251 0.86 KMT2A (0.44) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL2546153 0.82 KMT2A (0.58) KMT2AMEN1CYP1A2CYP3A4GAA
Trifluoroacetic Acid SCHEMBL4717787 0.81 MEN1 (0.38) KMT2AMEN1CYP1A2CYP3A4PTGER4
Formic Acid SCHEMBL2834599 0.81 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4GAA
Trifluoroacetic Acid SCHEMBL2832867 0.80 KMT2A (0.49) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL457402 0.78 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4GAA
Formic Acid SCHEMBL2834105 0.77 KMT2A (0.47) KMT2AMEN1CYP1A2GAAPTGER4
SCHEMBL454807 0.75 MEN1 (0.40) KMT2AMEN1JAK2HRH1HTR6
SCHEMBL3944260 0.74 ELANE (0.41) KMT2AMEN1PTGER4PTGER2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258784-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2017-09-14 US disclosed
US-9694006-B2 Use of pyrroloquinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2017-07-04 US disclosed
EP-1945211-B1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2015-10-21 EP disclosed
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2012-09-13 US disclosed
US-8207187-B2 Use of pyrroloquinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2012-06-26 US disclosed
US-20100093691-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2086542-A1 TOPICAL FORMULATIONS Helperby Therapeutics Limited (GB) 2009-08-12 EP disclosed
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2009-05-28 US disclosed
WO-2008056151-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2008-05-15 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 (4 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-20170258784-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KMT2A 2403/4885MEN1 1394/4885CYP1A2 378/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KMT2A 2403/4885MEN1 1394/4885CYP1A2 378/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KMT2A 2403/4885MEN1 1394/4885CYP1A2 378/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS KMT2A 4302/4885MEN1 2763/4885CYP1A2 73/4885

“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.