SCHEMBL5041709

SCHEMBL5041709

C#Cc1ccc(OCc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.58
MMP13 P45452 1/20 0.58
MMP2 P08253 2/20 0.52
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP12 P39900 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL6632245 0.87 ADAM17 (0.63) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL3969746 0.86 ADAM17 (0.61) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL8353322 0.86 ADAM17 (0.62) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL5887602 0.85 ADAM17 (0.61) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL5887895 0.85 ADAM17 (0.61) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL1366484 0.83 ADAM17 (0.60) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL4053178 0.83 ADAM17 (0.60) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL5041563 0.83 ADAM17 (0.60) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL1364646 0.83 ADAM17 (0.60) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL5036450 0.83 ADAM17 (0.55) ADAM17MMP13MMP2MMP3MMP7

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 6 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
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 1/4885MMP13 12/4885MMP2 20/4885

“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.