Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5898015

Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)C(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.O=C(O)C(F)(F)F

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.78
MMP9 P14780 2/20 0.78
MMP3 P08254 1/20 0.68
MMP7 P09237 1/20 0.68
MMP10 P09238 1/20 0.68
MMP8 P22894 1/20 0.68
MMP12 P39900 1/20 0.68
MMP13 P45452 1/20 0.68
MMP14 P50281 1/20 0.68
ADAM17 P78536 1/20 0.68

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
SCHEMBL5898237 0.96 MMP2 (0.85) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5898274 0.93 MMP2 (0.81) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5897857 0.93 MMP2 (0.91) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5898380 0.92 MMP2 (0.75) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5898310 0.91 MMP2 (0.78) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5897841 0.91 MMP2 (0.77) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5898269 0.90 MMP2 (0.80) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5898402 0.90 MMP2 (0.80) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5898121 0.90 MMP2 (0.77) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5898281 0.90 MMP2 (0.80) MMP2MMP9MMP3MMP7MMP10

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-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha LU ZHONGHUI (US) 2004-08-19 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 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 (2 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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP MMP2 8/4885MMP9 4/4885MMP3 27/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP MMP2 8/4885MMP9 4/4885MMP3 27/4885

“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.