SCHEMBL6479009

SCHEMBL6479009

CC(C)(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.58
ADAMTS4 O75173 1/20 0.58
ADAM17 P78536 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.58
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
MMP7 P09237 3/20 0.51
MMP3 P08254 2/20 0.51
MMP10 P09238 2/20 0.51
MMP8 P22894 2/20 0.51

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
SCHEMBL6491584 0.94 ADAM17 (0.60) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6489505 0.94 ADAM17 (0.60) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6489627 0.93 ADAM17 (0.68) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6480440 0.90 MMP2 (0.60) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6490367 0.89 MMP12 (0.47) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6492853 0.88 MMP2 (0.58) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6480002 0.88 MMP12 (0.60) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6487834 0.88 MMP2 (0.55) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6490454 0.87 MMP2 (0.55) MMP12ADAMTS4ADAM17ADAMTS5MMP2
SCHEMBL6491200 0.87 MMP2 (0.55) MMP12ADAMTS4ADAM17ADAMTS5MMP2

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 MMP12 14/4885ADAMTS4 26/4885ADAM17 1/4885
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 MMP12 14/4885ADAMTS4 26/4885ADAM17 1/4885

“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.