SCHEMBL6479956

SCHEMBL6479956

O=C(N[C@@H]1C[C@@]2(CCCO2)C[C@@H]1C(=O)NO)c1ccc(Cc2cc(C(F)(F)F)nc3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.68
MMP2 P08253 3/20 0.63
MMP9 P14780 2/20 0.63
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP10 P09238 1/20 0.52

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
SCHEMBL6488443 0.89 MMP2 (0.80) ADAM17MMP2MMP9MMP3MMP7
SCHEMBL6490482 0.87 ADAM17 (0.68) ADAM17MMP2MMP9MMP3MMP7
SCHEMBL6488992 0.87 ADAM17 (0.68) ADAM17MMP2MMP9MMP3MMP7
SCHEMBL6489496 0.87 ADAM17 (0.68) ADAM17MMP2MMP9MMP3MMP7
SCHEMBL6491467 0.87 ADAM17 (0.69) ADAM17MMP2MMP9MMP3MMP7
SCHEMBL6491540 0.84 MMP2 (0.62) ADAM17MMP2MMP9MMP3MMP7
SCHEMBL6796124 0.83 ADAM17 (0.86) ADAM17MMP3MMP7MMP10
SCHEMBL6279181 0.83 ADAM17 (0.80) ADAM17MMP3MMP7MMP10
SCHEMBL6259432 0.83 ADAM17 (0.80) ADAM17MMP3MMP7MMP10
SCHEMBL6259435 0.83 ADAM17 (0.80) ADAM17MMP3MMP7MMP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004060212-A1 ANTI-INFLAMMATORY COATING FOR IMPLANTABLE MEDICAL DEVICES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-22 WO 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-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US claimed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 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 ADAM17 1/4885MMP2 12/4885MMP9 4/4885
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents TNF, PTGS1, MIF ADAM17 64/4885MMP2 46/4885MMP9 40/4885
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 ADAM17 1/4885MMP2 12/4885MMP9 4/4885
US-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings TNF, MIF, MMP12 ADAM17 13/4885MMP2 53/4885MMP9 5/4885

“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.