SCHEMBL6627786

SCHEMBL6627786

CC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 1.00
MMP9 P14780 11/20 1.00
ADAM17 P78536 9/20 0.75
MMP1 P03956 8/20 0.70
MMP3 P08254 1/20 0.59
MMP7 P09237 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
MMP14 P50281 1/20 0.59
MMP15 P51511 1/20 0.59
MMP16 P51512 1/20 0.59
ADAM33 Q9BZ11 1/20 0.59
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
FFAR1 O14842 1/20 0.47

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
SCHEMBL6628712 0.89 MMP2 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6628183 0.89 MMP2 (0.83) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6628455 0.86 MMP9 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6627030 0.83 MMP2 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL13274077 0.83 MMP2 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6838778 0.83 MMP2 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6626830 0.81 MMP2 (0.79) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6626561 0.81 ADAM17 (0.80) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6627039 0.81 MMP2 (0.78) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6627729 0.81 ADAM17 (1.00) MMP2MMP9ADAM17MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP claimed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US claimed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US claimed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP 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
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 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 (1 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 MMP2 10/4885MMP9 5/4885ADAM17 3/4885

“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.