SCHEMBL5039639

SCHEMBL5039639

Cc1cc(COc2ccc(C3(CN4CCOCC4)CC(C(C)O)=NO3)cc2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.53
MMP3 P08254 6/20 0.46
MMP13 P45452 5/20 0.46
MMP2 P08253 5/20 0.46
MMP9 P14780 4/20 0.46
MMP7 P09237 3/20 0.46
ADAM33 Q9BZ11 2/20 0.46
MMP1 P03956 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 2/20 0.46
MMP15 P51511 1/20 0.46
MMP16 P51512 1/20 0.46
ADAMTS4 O75173 1/20 0.43
ADAMTS1 Q9UHI8 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
ADAM10 O14672 1/20 0.43
MMP17 Q9ULZ9 1/20 0.43

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
SCHEMBL5039643 0.86 ADAM17 (0.53) ADAM17MMP3MMP13MMP2MMP9
SCHEMBL5036697 0.82 ADAM17 (0.48) ADAM17MMP3MMP13MMP2MMP9
SCHEMBL5041675 0.81 ADAM17 (0.53) ADAM17MMP3MMP13MMP2MMP9
SCHEMBL5035406 0.81 ADAM17 (0.50) ADAM17MMP3MMP13MMP2MMP9
Trifluoroacetic Acid SCHEMBL5032789 0.78 ADAM17 (0.55) ADAM17MMP13MMP2MMP9
SCHEMBL5041756 0.76 ADAM17 (0.45) ADAM17MMP3MMP13MMP2MMP9
SCHEMBL6023353 0.74 ADAM17 (0.57) ADAM17MMP3MMP13MMP7ADAMTS4
SCHEMBL6023092 0.72 ADAM17 (0.47) ADAM17MMP3MMP13MMP2MMP7
SCHEMBL5036434 0.70 ADAM17 (0.48) ADAM17MMP13MMP2MMP9ADAMTS4
SCHEMBL6318995 0.70 ADAM17 (1.00) ADAM17MMP13MMP2MMP9

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 ADAM17 1/4885MMP3 3/4885MMP13 12/4885

“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.