Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL939948

NNC(=O)NCC1CCC(C(=O)O)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP12 P39900 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
PTGER4 P35408 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX1 P07099 2/20 0.35
EPHX2 P34913 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2D6 P10635 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL7418767 1.00 PLG (0.43) PLGPLATLMNAKMT2ATDP1
SCHEMBL940065 0.91 PLG (0.52) PLGPLATLMNAKMT2ATDP1
SCHEMBL7430073 0.91 PLG (0.52) PLGPLATLMNAKMT2ATDP1
SCHEMBL31270861 0.80
SCHEMBL6294396 0.79 TDP1 (0.39) KMT2ATDP1MMP12SMN1; SMN2ALDH1A1
SCHEMBL8596354 0.79 KMT2A (0.46) PLGPLATLMNAKMT2ATDP1
SCHEMBL8595703 0.79 KMT2A (0.46) PLGPLATLMNAKMT2ATDP1
Trifluoroacetic Acid SCHEMBL1127872 0.75 PLG (0.42) PLGPLATLMNAKMT2AANPEP
Trifluoroacetic Acid SCHEMBL21813736 0.75 CYP2D6 (0.52) TDP1ALDH1A1CYP3A4EPHX1EPHX2
SCHEMBL939950 0.74 TDP1 (0.37) KMT2ATDP1ALDH1A1CYP3A4MEN1

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
CN-101506185-B Oxolane is [3,2-B] pyrroles-3-ketone intermediate also 格兰泰有限公司 2016-06-29 CN disclosed
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-01-21 US disclosed
US-20150209349-A1 Piperazine Compounds AMURA THERAPEUTICS LTD (GB) 2015-07-30 US disclosed
EP-2240491-B1 TETRAHYDROFURO(2,3-b)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2015-07-15 EP disclosed
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2015-06-18 US disclosed
US-9045492-B2 Piperazine compounds AMURA THERAPEUTICS LIMITED (GB) 2015-06-02 US disclosed
US-8933109-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA LIMITED (GB) 2015-01-13 US disclosed
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 US disclosed
EP-2719700-A1 TETRAHYDROFURO(3,2-B)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES Amura Therapeutics Limited (GB) 2014-04-16 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
EP-1345931-A2 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2003-09-24 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002040462-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2002-05-23 WO disclosed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP disclosed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 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 (6 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ PLG 176/4885PLAT 342/4885LMNA 1883/4885
US-20150209349-A1 Piperazine Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, CHRM5 PLG 3535/4885PLAT 4109/4885LMNA 2350/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK PLG 327/4885PLAT 116/4885LMNA 3927/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK PLG 389/4885PLAT 186/4885LMNA 4057/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK PLG 389/4885PLAT 186/4885LMNA 4057/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV PLG 116/4885PLAT 273/4885LMNA 3301/4885

“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.