SCHEMBL6099770

SCHEMBL6099770

Cc1cc(COc2ccc(S(=O)(=O)NCc3c[nH]c(=O)[nH]c3=O)cc2)c2ccccc2n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.73
MMP3 P08254 3/20 0.73
MMP2 P08253 1/20 0.73
MMP7 P09237 1/20 0.73
MMP12 P39900 1/20 0.73
MMP13 P45452 2/20 0.53
ADAMTS4 O75173 1/20 0.53
ADAM33 Q9BZ11 2/20 0.51
MMP1 P03956 1/20 0.51

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 SCHEMBL6102383 0.94 ADAM17 (0.66) ADAM17MMP3MMP2MMP7MMP12
SCHEMBL6101345 0.86 ADAM17 (0.64) ADAM17MMP3MMP2MMP7MMP12
SCHEMBL6099500 0.82 ADAM17 (0.57) ADAM17MMP3MMP2MMP7MMP12
Trifluoroacetic Acid SCHEMBL6102661 0.81 ADAM17 (0.57) ADAM17MMP3MMP2MMP7MMP12
SCHEMBL6100940 0.81 ADAM17 (0.56) ADAM17MMP3MMP2MMP7MMP12
SCHEMBL6100080 0.80 ADAM17 (0.65) ADAM17MMP3MMP2MMP7MMP12
SCHEMBL5410413 0.80 ADAM17 (0.60) ADAM17MMP3MMP2MMP7MMP12
Trifluoroacetic Acid SCHEMBL6099184 0.79 ADAM17 (0.61) ADAM17MMP3MMP2MMP12MMP13
Trifluoroacetic Acid SCHEMBL6100695 0.77 ADAM17 (0.52) ADAM17MMP3MMP2MMP7MMP12
SCHEMBL6102388 0.77 ADAM17 (0.48) ADAM17MMP3MMP2MMP7MMP12

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-7101883-B2 Uracil derivatives as inhibitors of TNF-α converting enzyme (TACE) and matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US claimed
US-20030229081-A1 Uracil derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 US claimed
US-7101883-B2 Uracil derivatives as inhibitors of TNF-α converting enzyme (TACE) and matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20030229081-A1 Uracil derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 US disclosed
WO-2003079986-A2 URACIL DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-02 WO 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-20030229081-A1 Uracil derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and matrix metalloproteinases UNG, IDUA, TNF ADAM17 26/4885MMP3 31/4885MMP2 23/4885

“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.