SCHEMBL4456199

SCHEMBL4456199

O=C(O)CC[C@H](NC(=O)C(=O)c1ccccc1)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
BCAT1 P54687 2/20 0.38
ACSL1 P33121 2/20 0.37
ACSL6 Q9UKU0 2/20 0.37
TTR P02766 1/20 0.36
NPY5R Q15761 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KEAP1 Q14145 1/20 0.36
KMT2A Q03164 2/20 0.35
MME P08473 1/20 0.35
ECE1 P42892 1/20 0.35
MEN1 O00255 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
SCHEMBL7622927 0.86 NPSR1 (0.47) NPSR1LMNAMMP12MMP13BCAT1
SCHEMBL3147148 0.77 LMNA (0.50) NPSR1LMNAMMP12MMP13BCAT1
SCHEMBL7622577 0.70 MMP12 (0.44) NPSR1LMNAMMP12MMP13BCAT1
SCHEMBL15071004 0.69 TTR (0.59) LMNABCAT1TTRKMT2AMEN1
SCHEMBL26574728 0.69 LMNA (0.52) NPSR1LMNAMMP12MMP13BCAT1
SCHEMBL5819845 0.69 LMNA (0.46) NPSR1LMNAMMP12MMP13BCAT1
SCHEMBL11485002 0.69 MMP12 (0.52) LMNAMMP12MMP13NPY5RCYP3A4
Furobufen SCHEMBL43450 0.69 CYP1A2 (0.58) NPSR1LMNABCAT1ACSL1ACSL6
Furobufen SCHEMBL30901203 0.69 CYP1A2 (0.58) NPSR1LMNABCAT1ACSL1ACSL6
SCHEMBL7352062 0.67 MMP12 (0.64) MMP12MMP13KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 EP claimed
EP-0923569-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-06-23 EP claimed
WO-1998006711-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO claimed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-20040176393-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2004-09-09 US disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO 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-20040176393-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 NPSR1 4183/4885LMNA 1874/4885MMP12 21/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 NPSR1 4720/4885LMNA 1163/4885MMP12 3804/4885

“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.