SCHEMBL5884634

SCHEMBL5884634

COC(=O)C(C)C(O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.57
ADAMTS4 O75173 1/20 0.57
ADAM17 P78536 13/20 0.53
MMP2 P08253 2/20 0.52
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
MMP15 P51511 1/20 0.50
MMP16 P51512 1/20 0.50
ADAM33 Q9BZ11 1/20 0.50

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
SCHEMBL5884548 0.89 ADAM17 (0.60) MMP13ADAMTS4ADAM17MMP2MMP1
SCHEMBL6263430 0.88 MMP13 (0.57) MMP13ADAMTS4ADAM17MMP2MMP1
SCHEMBL5883980 0.82 ADAM17 (0.57) MMP13ADAMTS4ADAM17MMP2MMP1
SCHEMBL5884157 0.79 ADAM17 (0.56) MMP13ADAM17MMP2MMP1MMP3
SCHEMBL5883829 0.79 ADAM17 (0.63) MMP13ADAMTS4ADAM17MMP2MMP3
SCHEMBL6212594 0.79 ADAM17 (0.63) ADAM17MMP2MMP3
SCHEMBL5884193 0.78 ADAM17 (0.53) MMP13ADAM17MMP2MMP1MMP3
SCHEMBL5884722 0.78 ADAM17 (0.53) MMP13ADAMTS4ADAM17MMP2
SCHEMBL5883940 0.78 ADAM17 (0.66) MMP13ADAMTS4ADAM17MMP2
SCHEMBL5884767 0.78 LTA4H (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 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-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP9, ADAM17, MMP3 MMP13 8/4885ADAMTS4 30/4885ADAM17 2/4885

“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.