Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7111145

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

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.79
MMP13 P45452 5/20 0.67

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
SCHEMBL7107362 0.95 ADAM17 (0.86) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL7111909 0.93 ADAM17 (0.91) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL7110399 0.93 ADAM17 (0.91) ADAM17MMP13
SCHEMBL7106794 0.88 ADAM17 (1.00) ADAM17MMP13
SCHEMBL7107375 0.88 ADAM17 (1.00) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL7110992 0.87 ADAM17 (0.72) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL7110514 0.86 ADAM17 (0.91) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL7110121 0.85 ADAM17 (0.91) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL7112102 0.85 ADAM17 (0.91) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL7111686 0.85 ADAM17 (0.80) ADAM17MMP13

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-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-08 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-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha MMP1, MMP8, MMP9 ADAM17 19/4885MMP13 10/4885

“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.