Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2832867

COc1cc(OC)c2nc(C)c3c(c2c1)N(CCOc1ccccc1)CC3.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 3/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
RAD52 P43351 2/20 0.49
POLB P06746 1/20 0.49
JAK2 O60674 1/20 0.48
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
PDE5A O76074 3/20 0.38

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
SCHEMBL457184 0.92 KMT2A (0.57) KMT2ACYP1A2GAAMEN1CYP3A4
Trifluoroacetic Acid SCHEMBL2832874 0.82 KMT2A (0.50) KMT2ACYP1A2GAAMEN1CYP3A4
SCHEMBL2832251 0.80 KMT2A (0.44) KMT2ACYP1A2GAAMEN1CYP3A4
Trifluoroacetic Acid SCHEMBL2832247 0.80 KMT2A (0.44) KMT2ACYP1A2GAAMEN1CYP3A4
SCHEMBL2546153 0.80 KMT2A (0.58) KMT2ACYP1A2GAAMEN1CYP3A4
Trifluoroacetic Acid SCHEMBL2834712 0.79 KMT2A (0.61) KMT2ACYP1A2GAAMEN1CYP3A4
Formic Acid SCHEMBL2834599 0.79 KMT2A (0.52) KMT2ACYP1A2GAAMEN1CYP3A4
Trifluoroacetic Acid SCHEMBL2834081 0.78 KMT2A (0.59) KMT2ACYP1A2GAAMEN1CYP3A4
SCHEMBL453683 0.77 KMT2A (0.63) KMT2ACYP1A2GAAMEN1CYP3A4
Trifluoroacetic Acid SCHEMBL2831633 0.77 KMT2A (0.53) KMT2ACYP1A2GAAMEN1CYP3A4

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-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
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2009-05-28 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 (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 2403/4885CYP1A2 378/4885GAA 373/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KMT2A 2403/4885CYP1A2 378/4885GAA 373/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KMT2A 2403/4885CYP1A2 378/4885GAA 373/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS KMT2A 4302/4885CYP1A2 73/4885GAA 1301/4885

“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.