Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3728778

NC(=O)c1cccc2c1CCCC2.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 1/20 0.43
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
FABP4 P15090 1/20 0.40
TRPA1 O75762 1/20 0.39
GFER P55789 1/20 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
SCHEMBL3124135 0.89 BCL2L1 (0.52) CXCR5L3MBTL1ALOX15MAPK1CASP1
SCHEMBL29351721 0.85 PARP1 (0.51) CXCR5L3MBTL1ALOX15MAPK1CASP1
SCHEMBL3434922 0.85 PARP1 (0.51) CXCR5L3MBTL1ALOX15MAPK1CASP1
Hydrochloric Acid SCHEMBL30363549 0.84 PARP1 (0.50) CXCR5L3MBTL1ALOX15MAPK1CASP1
Trifluoroacetic Acid SCHEMBL3728784 0.81 BCL2L1 (0.44) CXCR5L3MBTL1BCL2L1BADMEN1
SCHEMBL783869 0.78 CXCR5 (0.56) CXCR5L3MBTL1ALOX15BCL2L1BAD
SCHEMBL29493191 0.78 CXCR5 (0.56) CXCR5L3MBTL1ALOX15BCL2L1BAD
Hydrochloric Acid SCHEMBL2398251 0.77 CXCR5 (0.55) CXCR5L3MBTL1ALOX15BCL2L1BAD
SCHEMBL5755502 0.77 CXCR5 (0.55) CXCR5L3MBTL1ALOX15BCL2L1BAD
SCHEMBL11006528 0.76 HTR7 (0.49) CXCR5L3MBTL1ALOX15MAPK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS CXCR5 2337/4885L3MBTL1 99/4885ALOX15 4123/4885

“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.