Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5887771

Cc1cc(COc2ccc(C(=O)Nc3ccsc3C3NC(=O)NC3=O)cc2)c2ccccc2n1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.53
MMP13 P45452 3/20 0.53
MMP12 P39900 3/20 0.52
MMP2 P08253 4/20 0.50
MMP3 P08254 1/20 0.49

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
SCHEMBL5887512 0.96 ADAM17 (0.57) ADAM17MMP13MMP12MMP2MMP3
Trifluoroacetic Acid SCHEMBL5887714 0.88 ADAM17 (0.57) ADAM17MMP13MMP12MMP2MMP3
Trifluoroacetic Acid SCHEMBL6136039 0.84 ADAM17 (0.48) ADAM17MMP13MMP12MMP2
Trifluoroacetic Acid SCHEMBL5887395 0.83 ADAM17 (0.48) ADAM17MMP13
SCHEMBL5887880 0.83 ADAM17 (0.62) ADAM17MMP13MMP12MMP2MMP3
Trifluoroacetic Acid SCHEMBL5887779 0.83 ADAM17 (0.47) ADAM17MMP13MMP2
Trifluoroacetic Acid SCHEMBL5887921 0.82 MMP2 (0.56) ADAM17MMP13MMP12MMP2MMP3
SCHEMBL5887788 0.81 ADAM17 (0.47) ADAM17MMP13MMP2
Trifluoroacetic Acid SCHEMBL6101844 0.78 MMP13 (0.58) ADAM17MMP13MMP12MMP2
Trifluoroacetic Acid SCHEMBL6101265 0.77 ADAM17 (0.71) ADAM17MMP13MMP12MMP2MMP3

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-7041693-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-09 US disclosed
EP-1546109-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
US-20040067996-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2004-04-08 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-20040067996-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, ADAMTS1 ADAM17 1/4885MMP13 15/4885MMP12 18/4885

“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.