SCHEMBL5036716

SCHEMBL5036716

Cc1cc(COc2ccc(-c3cc(CC(C)O[Si](C)(C)C(C)(C)C)no3)cc2)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.45
ADAMTS4 O75173 1/20 0.45
ADAM17 P78536 10/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
MMP15 P51511 1/20 0.41
MMP16 P51512 1/20 0.41
ADAM33 Q9BZ11 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5032806 0.85 MMP13 (0.51) MMP13ADAMTS4ADAM17MMP1MMP2
SCHEMBL5035176 0.73 ADAM17 (0.60) MMP13ADAM17MMP2
SCHEMBL5032757 0.72 ADAM17 (0.43) MMP13ADAM17MMP1MMP2MMP3
SCHEMBL6632245 0.71 ADAM17 (0.63) MMP13ADAM17MMP2MMP3MMP7
SCHEMBL5035369 0.71 ADAM17 (0.46) MMP13ADAM17MMP1MMP2MMP3
Trifluoroacetic Acid SCHEMBL5032791 0.70 ADAM17 (0.58) MMP13ADAM17
SCHEMBL8353322 0.70 ADAM17 (0.62) MMP13ADAM17MMP2MMP3MMP7
SCHEMBL5887602 0.69 ADAM17 (0.61) MMP13ADAM17MMP2MMP3MMP7
SCHEMBL5887895 0.69 ADAM17 (0.61) MMP13ADAMTS4ADAM17MMP2MMP3
SCHEMBL4053178 0.68 ADAM17 (0.60) MMP13ADAMTS4ADAM17MMP2MMP3

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
EP-1628974-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2008-05-07 EP disclosed
US-7132432-B2 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-07 US disclosed
EP-1628974-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004108086-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed
US-20040254231-A1 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 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-20040254231-A1 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) ADAM17, ADAMTS1, MMP3 MMP13 12/4885ADAMTS4 13/4885ADAM17 1/4885

“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.