SCHEMBL6724684

SCHEMBL6724684

O=C1NC(=O)C2(CCC(=O)N2c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 1.00
MMP2 P08253 8/20 0.73
MMP9 P14780 8/20 0.73
MMP3 P08254 7/20 0.73
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL6724553 0.91 MMP13 (1.00) MMP13MMP2MMP9MMP3AKR1C3
SCHEMBL12336942 0.85 MMP13 (1.00) MMP13MMP2MMP9MMP3
SCHEMBL6731606 0.82 MMP13 (1.00) MMP13MMP2MMP9MMP3
SCHEMBL6724472 0.82 MMP13 (0.73) MMP13MMP2MMP9MMP3
SCHEMBL6724700 0.80 MMP13 (1.00) MMP13MMP2MMP9MMP3
SCHEMBL6727168 0.79 MMP13 (0.86) MMP13MMP2MMP9MMP3
SCHEMBL6727253 0.78 MMP13 (0.76) MMP13MMP2MMP9MMP3
SCHEMBL9730368 0.78 MMP13 (0.63) MMP13MMP2MMP9MMP3AKR1C3
SCHEMBL6724183 0.76 MMP13 (1.00) MMP13MMP2MMP9MMP3
SCHEMBL6723167 0.75 MMP13 (1.00) MMP13MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases BRISTOL-MYERS SQUIBB COMPANY 2004-02-05 US claimed
US-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases BRISTOL-MYERS SQUIBB COMPANY 2004-02-05 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-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases MMP13, MMP3, MMP1 MMP13 1/4885MMP2 13/4885MMP9 5/4885

“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.