Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7607303

NC(CC(=O)OCc1ccccc1)C(=O)NC(CO)Cc1ccccc1.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
SLC15A1 P46059 2/20 0.49
CYP3A4 P08684 6/20 0.49
MAPK1 P28482 1/20 0.49
CTRB1 P17538 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MC4R P32245 1/20 0.42
MC3R P41968 1/20 0.42
OPRK1 P41145 4/20 0.42
CTSC P53634 1/20 0.42
CTSL P07711 1/20 0.41
CTSK P43235 1/20 0.41
TACR1 P25103 2/20 0.41
ABCC3 O15438 1/20 0.40
NR1I2 O75469 1/20 0.40

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 SCHEMBL7607313 1.00 SLC15A1 (0.49) SLC15A1CYP3A4MAPK1CTRB1CYP1A2
SCHEMBL7607306 0.87 SLC15A1 (0.47) SLC15A1CYP3A4CTRB1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL7608053 0.85 SLC15A1 (0.45) SLC15A1CYP3A4CYP1A2CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL7413892 0.85 SLC15A1 (0.45) SLC15A1CYP3A4CYP1A2CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL7405960 0.80 MMP3 (0.48) SLC15A1
Trifluoroacetic Acid SCHEMBL7606327 0.80 MMP3 (0.48) SLC15A1
SCHEMBL9752001 0.79 MAPK1 (0.62) SLC15A1CYP3A4MAPK1MC4RMC3R
SCHEMBL27182846 0.79 MAPK1 (0.62) SLC15A1CYP3A4MAPK1MC4RMC3R
SCHEMBL7457031 0.79 MAPK1 (0.62) SLC15A1CYP3A4MAPK1MC4RMC3R
SCHEMBL24453079 0.79 MAPK1 (0.69) SLC15A1CYP3A4MAPK1MC4RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 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 (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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 SLC15A1 1953/4885CYP3A4 692/4885MAPK1 2565/4885

“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.