SCHEMBL4059853

SCHEMBL4059853

CC1(CC(=O)NCc2ccc(Oc3ccccc3)cc2)NC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
MMP13 P45452 4/20 0.45
MMP2 P08253 2/20 0.45
MMP3 P08254 2/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP12 P39900 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 2/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6727429 0.77 MMP13 (0.44) MMP13MMP2MMP3MMP12MMP9
SCHEMBL4056808 0.76 ADAM17 (0.62) MAPK14MMP13MMP2MMP3ADAMTS4
SCHEMBL12416711 0.75 IL1RN (0.46) MMP2ADAMTS5HPGDMMP9MMP8
SCHEMBL13192876 0.74 HPGD (0.62) MAPK14MMP13NPC1HPGDSMN1; SMN2
SCHEMBL14944099 0.74 MAPK14 (0.61) MAPK14MMP13NPC1HPGDSMN1; SMN2
SCHEMBL12378614 0.73 ACACB (0.45) MMP13MMP2MMP3ADAMTS4MMP12
SCHEMBL5887902 0.73 MAPK14 (0.46) MAPK14MMP13HPGDSMN1; SMN2LIPG
SCHEMBL22560078 0.72 CYP3A4 (0.66) MAPK14NPC1HPGDALDH1A1RECQL
SCHEMBL13192880 0.71 RNF4 (0.62) MAPK14MMP13NPC1HPGDSMN1; SMN2
SCHEMBL10133183 0.71 NPC1 (0.75) MAPK14NPC1HPGDALDH1A1RECQL

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 MAPK14 2505/4885MMP13 10/4885MMP2 16/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 MAPK14 2910/4885MMP13 16/4885MMP2 13/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 MAPK14 2505/4885MMP13 10/4885MMP2 16/4885

“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.