SCHEMBL6478466

SCHEMBL6478466

O=C(N[C@@H]1C[C@@]2(CCCO2)C[C@@H]1C(=O)NO)c1ccc(Cn2c(C(F)F)nc3ccccc32)cc1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
MMP12 P39900 3/20 0.52
ADAMTS4 O75173 1/20 0.52
ADAM17 P78536 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
MMP3 P08254 2/20 0.51
MMP7 P09237 2/20 0.51
MMP10 P09238 2/20 0.51
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MMP8 P22894 1/20 0.46

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
SCHEMBL6480002 0.93 MMP12 (0.60) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6490454 0.89 MMP2 (0.55) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6480440 0.89 MMP2 (0.60) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6489627 0.88 ADAM17 (0.68) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6487834 0.88 MMP2 (0.55) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6491200 0.87 MMP2 (0.55) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6491584 0.87 ADAM17 (0.60) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6489505 0.87 ADAM17 (0.60) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6492853 0.87 MMP2 (0.58) MMP2MMP9MMP12ADAMTS4ADAM17
SCHEMBL6479009 0.87 MMP12 (0.58) MMP2MMP9MMP12ADAMTS4ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-07-08 US claimed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US claimed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-07-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 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-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 MMP2 12/4885MMP9 4/4885MMP12 14/4885
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 MMP2 12/4885MMP9 4/4885MMP12 14/4885

“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.