SCHEMBL6597486

SCHEMBL6597486

Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CC(C)NC(C)C3)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 1.00
MMP3 P08254 3/20 1.00
ADAMTS1 Q9UHI8 3/20 1.00
ADAMTS5 Q9UNA0 3/20 1.00
MMP8 P22894 2/20 1.00
MMP10 P09238 1/20 1.00
MMP14 P50281 1/20 1.00
MMP15 P51511 1/20 1.00
ADAM17 P78536 18/20 0.77
MMP7 P09237 2/20 0.77
MMP13 P45452 1/20 0.69

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
SCHEMBL6597239 1.00 ADAMTS4 (1.00) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6593623 0.92 ADAMTS4 (0.85) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6594437 0.92 ADAMTS4 (0.85) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6593683 0.91 ADAMTS4 (0.84) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6598039 0.90 ADAMTS4 (0.82) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6598028 0.90 ADAMTS4 (0.82) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6596017 0.90 ADAMTS4 (0.82) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6597063 0.90 ADAMTS4 (0.82) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6597075 0.88 ADAM17 (0.84) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
Trifluoroacetic Acid SCHEMBL6595227 0.88 ADAMTS4 (0.78) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8

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 12 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
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha DUAN JINGWU (US) 2004-04-15 US claimed
EP-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 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-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 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 disclosed
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha DUAN JINGWU (US) 2004-04-15 US disclosed
EP-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 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
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 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-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha TNF, XPNPEP1, MMP2 ADAMTS4 68/4885MMP3 12/4885ADAMTS1 62/4885
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents TNF, PTGS1, MIF ADAMTS4 80/4885MMP3 31/4885ADAMTS1 23/4885
US-20040120977-A1 Anti-inflammatory coatings for implantable medical devices and devices containing said coatings TNF, MIF, MMP12 ADAMTS4 81/4885MMP3 50/4885ADAMTS1 46/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 ADAMTS4 61/4885MMP3 7/4885ADAMTS1 56/4885

“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.