SCHEMBL4057743

SCHEMBL4057743

CCc1nn2ccccc2c1Cc1ccc(C(=O)NC2CCOCC23NC(=O)NC3=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.61
MMP3 P08254 4/20 0.61
MMP7 P09237 4/20 0.49
MMP2 P08253 1/20 0.39
HDAC1 Q13547 2/20 0.38
ADAM17 P78536 3/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
CHRM1 P11229 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4057747 1.00 MMP12 (0.61) MMP12MMP3MMP7MMP2HDAC1
SCHEMBL4060509 0.79 ADAM17 (0.37) MMP12MMP3MMP7MMP2ADAM17
SCHEMBL4564701 0.79 ADAM17 (0.37) MMP12MMP3MMP7MMP2ADAM17
SCHEMBL4060514 0.79 ADAM17 (0.37) MMP12MMP3MMP7MMP2ADAM17
SCHEMBL4050512 0.78 AR (0.46) MMP12MMP3MMP7MMP2ADAM17
SCHEMBL4050516 0.78 AR (0.46) MMP12MMP3MMP7MMP2ADAM17
SCHEMBL4054238 0.77 MMP3 (0.59) MMP12MMP3MMP7MMP2HDAC1
SCHEMBL4054243 0.77 MMP3 (0.59) MMP12MMP3MMP7MMP2HDAC1
SCHEMBL4055986 0.76 ADAM17 (0.61) MMP3MMP7ADAM17
SCHEMBL4055976 0.76 ADAM17 (0.61) MMP3MMP7ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP claimed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US claimed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US claimed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US claimed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 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 (3 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-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 MMP12 26/4885MMP3 7/4885MMP7 18/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 MMP12 23/4885MMP3 12/4885MMP7 18/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 MMP12 26/4885MMP3 7/4885MMP7 18/4885

“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.