SCHEMBL6491601

SCHEMBL6491601

Cc1c(C)n(Cc2ccc(C(=O)N[C@@H]3C[C@@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
HDAC1 Q13547 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC3 O15379 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
ADAMTS4 O75173 1/20 0.42
MMP12 P39900 1/20 0.42
ADAM17 P78536 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
PPARG P37231 2/20 0.42

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
SCHEMBL6492933 0.86 MMP2 (0.57) MMP2MMP9HDAC1HDAC6HDAC2
SCHEMBL6480440 0.85 MMP2 (0.60) MMP2MMP9HDAC1HDAC6ADAMTS4
SCHEMBL6490454 0.84 MMP2 (0.55) MMP2MMP9HDAC1HDAC6ADAMTS4
SCHEMBL6791089 0.82 HDAC1 (0.64) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL6480002 0.82 MMP12 (0.60) MMP2MMP9HDAC1HDAC6ADAMTS4
SCHEMBL6492853 0.82 MMP2 (0.58) MMP2MMP9ADAMTS4MMP12ADAM17
SCHEMBL6479009 0.82 MMP12 (0.58) MMP2MMP9ADAMTS4MMP12ADAM17
SCHEMBL6487834 0.81 MMP2 (0.55) MMP2MMP9ADAMTS4MMP12ADAM17
SCHEMBL6491200 0.81 MMP2 (0.55) MMP2MMP9ADAMTS4MMP12ADAM17
SCHEMBL6479485 0.81 MMP2 (0.51) MMP2MMP9HDAC1HDAC6HDAC2

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.