SCHEMBL3974102

SCHEMBL3974102

CC1(C(N)=O)C(=O)NC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.38
MMP2 P08253 7/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
MMP8 P22894 7/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP2 O95551 1/20 0.32
MAPT P10636 1/20 0.32
SMAD3 P84022 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PKM P14618 1/20 0.31
MMP13 P45452 1/20 0.31
HDAC1 Q13547 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL3967642 0.86 MMP2 (0.33) MMP9MMP2TP53TSHRMMP8
SCHEMBL4861780 0.71 MEN1 (0.38) MMP9MMP2TP53TSHRLMNA
SCHEMBL17169741 0.67 LMNA (0.43) MMP9MMP2TP53LMNAMMP8
Barbital SCHEMBL4888618 0.67 LMNA (0.77) MMP9MMP2TP53LMNAMMP8
Dimethylbarbiturate SCHEMBL296700 0.66 LMNA (0.48) MMP9MMP2TP53LMNAMMP8
Dimethylbarbiturate SCHEMBL31271990 0.64 LMNA (0.46) MMP9MMP2TP53LMNAMMP8
SCHEMBL1515917 0.63 MEN1 (0.33) MMP9MMP2TSHRMMP8MEN1
SCHEMBL3974105 0.63 LMNA (0.46) MMP9MMP2TP53TSHRLMNA
SCHEMBL20995412 0.63 TP53 (0.40) MMP9MMP2TP53LMNAMMP8
SCHEMBL17294203 0.62 MMP9 (0.39) MMP9MMP2TP53LMNAMMP8

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
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 US claimed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 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 (2 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 MMP9 2/4885MMP2 6/4885TP53 2346/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 MMP9 5/4885MMP2 8/4885TP53 3263/4885

“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.