SCHEMBL6629932

SCHEMBL6629932

CNC1(c2ccc(OCc3cc(C)nc4ccccc34)cc2)CCN(C(CC(C)C)C(=O)NO)C1=O

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.80
MMP2 P08253 7/20 0.80
MMP3 P08254 6/20 0.80
MMP9 P14780 6/20 0.80
MMP1 P03956 6/20 0.80
MMP7 P09237 4/20 0.80
MMP8 P22894 4/20 0.80
MMP13 P45452 4/20 0.80
MMP14 P50281 4/20 0.80
ADAM10 O14672 4/20 0.80
ADAM33 Q9BZ11 2/20 0.67
MMP15 P51511 1/20 0.67
MMP16 P51512 1/20 0.67

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
SCHEMBL6681285 1.00 ADAM17 (0.80) ADAM17MMP2MMP3MMP9MMP1
Trifluoroacetic Acid SCHEMBL6628784 0.96 ADAM17 (0.74) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL1021287 0.89 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL6350415 0.89 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL29732231 0.89 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL6350418 0.89 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL6681213 0.81 ADAM17 (0.86) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL2834283 0.80 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL5966106 0.80 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL6692506 0.80 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US claimed
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP 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-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US claimed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP 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
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP 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
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO 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 (3 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-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 ADAM17 3/4885MMP2 10/4885MMP3 11/4885
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents TNF, PTGS1, MIF ADAM17 64/4885MMP2 46/4885MMP3 31/4885
US-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings TNF, MIF, MMP12 ADAM17 13/4885MMP2 53/4885MMP3 50/4885

“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.