SCHEMBL6492371

SCHEMBL6492371

CC1(C)CN(Cc2ccc(C(=O)N[C@@H]3C[C@@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc2S1(O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.49
MMP9 P14780 2/20 0.49
HDAC1 Q13547 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC8 Q9BY41 1/20 0.40
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL6492372 0.93 MMP2 (0.50) MMP2MMP9HDAC1HDAC6HDAC8
SCHEMBL6478545 0.87 MMP2 (0.49) MMP2MMP9HDAC1HDAC6HDAC8
SCHEMBL6790288 0.85 MMP12 (0.43) HDAC1HDAC6MMP3MMP7MMP12
SCHEMBL6478547 0.85 MMP2 (0.49) MMP2MMP9HDAC1HDAC6HDAC8
SCHEMBL6785012 0.84 ADAM17 (0.48) HDAC1HDAC6HDAC8
SCHEMBL6786482 0.83 MMP12 (0.52) MMP2MMP3MMP7MMP12
SCHEMBL6790857 0.82 MMP3 (0.49) MMP2HDAC1HDAC6HDAC8MMP3
SCHEMBL6791710 0.80 MMP7 (0.44) MMP2MMP9HDAC1HDAC6MMP3
SCHEMBL6796614 0.80 MMP7 (0.41) MMP2HDAC1HDAC6HDAC8MMP3
SCHEMBL6790217 0.79 ADAM17 (0.54) MMP2HDAC1HDAC6HDAC8MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 4/4885HDAC1 490/4885
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 4/4885HDAC1 490/4885

“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.