SCHEMBL6480002

SCHEMBL6480002

CC(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 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.60
MMP3 P08254 2/20 0.60
MMP7 P09237 2/20 0.60
MMP10 P09238 2/20 0.60
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
ADAMTS4 O75173 1/20 0.51
ADAM17 P78536 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
MMP8 P22894 1/20 0.48

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
SCHEMBL6478466 0.93 MMP2 (0.54) MMP12MMP3MMP7MMP10HDAC1
SCHEMBL6480440 0.90 MMP2 (0.60) MMP12MMP3MMP7MMP10HDAC1
SCHEMBL6492853 0.88 MMP2 (0.58) MMP12MMP3MMP7MMP10MMP2
SCHEMBL6479009 0.88 MMP12 (0.58) MMP12MMP3MMP7MMP10MMP2
SCHEMBL6487834 0.88 MMP2 (0.55) MMP12MMP3MMP7MMP10MMP2
SCHEMBL6491200 0.87 MMP2 (0.55) MMP12MMP3MMP7MMP10MMP2
SCHEMBL6490454 0.87 MMP2 (0.55) MMP12MMP3MMP7MMP10HDAC1
SCHEMBL6489505 0.87 ADAM17 (0.60) MMP12MMP3MMP7MMP10MMP2
SCHEMBL6491584 0.87 ADAM17 (0.60) MMP12MMP3MMP7MMP10MMP2
SCHEMBL6489627 0.87 ADAM17 (0.68) MMP12MMP3MMP7MMP10MMP2

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 11 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-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US claimed
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 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
WO-2004060212-A1 ANTI-INFLAMMATORY COATING FOR IMPLANTABLE MEDICAL DEVICES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-22 WO 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-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 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 (4 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 14/4885MMP3 15/4885MMP7 29/4885
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents TNF, PTGS1, MIF MMP12 7/4885MMP3 31/4885MMP7 174/4885
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 MMP12 14/4885MMP3 15/4885MMP7 29/4885
US-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings TNF, MIF, MMP12 MMP12 3/4885MMP3 50/4885MMP7 45/4885

“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.