Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17201689

CS(=O)(=O)c1cnnc(-c2ccc(C(=O)O)s2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC4 P56524 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
HPGDS O60760 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HDAC3 O15379 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
SCHEMBL17201690 0.83 CTSS (0.38) CTSSCTSKALDH1A1KDM4ERAB9A
SCHEMBL17201502 0.79 CTSS (0.39) CTSSCTSKALDH1A1NPC1POLB
Trifluoroacetic Acid SCHEMBL17201560 0.78 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL17201692 0.70 KDM4E (0.46) CTSSCTSKALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL17201528 0.69 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL17201568 0.67 CTSS (0.44) CTSSCTSKALDH1A1HPGDKDM4E
SCHEMBL17201612 0.65 KDM4E (0.58) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL3472076 0.64 HSD17B1 (0.54) ALDH1A1HPGDKDM4ENPC1POLB
SCHEMBL3472078 0.64 HSD17B1 (0.54) ALDH1A1HPGDKDM4ENPC1POLB
SCHEMBL3472072 0.64 HSD17B1 (0.54) ALDH1A1HPGDKDM4ENPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 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 (1 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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT CTSS 33/4885CTSK 1/4885ALDH1A1 886/4885

“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.