Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6768475

Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C4CCN(C(=O)OC(C)(C)C)CC4)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.64
MMP2 P08253 3/20 0.63
MMP9 P14780 1/20 0.60

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 SCHEMBL5898017 0.97 ADAM17 (0.65) ADAM17MMP2MMP9
SCHEMBL5897871 0.97 ADAM17 (0.68) ADAM17MMP2MMP9
SCHEMBL5898195 0.94 ADAM17 (0.69) ADAM17MMP2MMP9
Trifluoroacetic Acid SCHEMBL5898367 0.94 ADAM17 (0.73) ADAM17MMP2MMP9
Trifluoroacetic Acid SCHEMBL5897958 0.94 ADAM17 (0.73) ADAM17MMP2MMP9
SCHEMBL5898176 0.92 MMP2 (0.70) ADAM17MMP2MMP9
SCHEMBL5898153 0.92 MMP2 (0.70) ADAM17MMP2MMP9
SCHEMBL5898162 0.92 MMP2 (0.70) ADAM17MMP2MMP9
Trifluoroacetic Acid SCHEMBL5898370 0.91 MMP2 (0.66) MMP2
Trifluoroacetic Acid SCHEMBL5898236 0.91 MMP2 (0.66) MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ADAM17 18/4885MMP2 8/4885MMP9 4/4885

“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.