SCHEMBL6598965

SCHEMBL6598965

Cc1cc(COc2ccc(C(=O)NCC(C)(C)C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.63
MMP2 P08253 3/20 0.61
MMP12 P39900 2/20 0.61
MMP3 P08254 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
ADAM10 O14672 1/20 0.58
MMP1 P03956 1/20 0.58

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
SCHEMBL6596831 0.91 ADAM17 (0.63) ADAM17MMP2MMP12ADAM10MMP1
SCHEMBL1503657 0.87 ADAM17 (0.62) ADAM17MMP2MMP12MMP3SMN1; SMN2
SCHEMBL7402737 0.86 ADAM17 (0.62) ADAM17MMP2MMP12ADAM10MMP1
SCHEMBL6593905 0.86 ADAM17 (0.62) ADAM17MMP2MMP12ADAM10MMP1
SCHEMBL6596414 0.86 ADAM17 (0.62) ADAM17MMP2MMP12ADAM10MMP1
SCHEMBL6595019 0.86 ADAM17 (0.62) ADAM17MMP2MMP12ADAM10MMP1
Trifluoroacetic Acid SCHEMBL6597459 0.84 ADAM17 (0.57) ADAM17MMP2MMP12ADAM10MMP1
SCHEMBL1503661 0.84 ADAM17 (0.64) ADAM17MMP2MMP12ADAM10MMP1
Trifluoroacetic Acid SCHEMBL6597417 0.84 ADAM17 (0.57) ADAM17MMP2MMP12ADAM10MMP1
SCHEMBL1504768 0.83 ADAM17 (0.64) ADAM17MMP2MMP12MMP3SMN1; SMN2

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-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-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
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP 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
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO claimed
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-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
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP 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
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 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 (2 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 ADAM17 29/4885MMP2 3/4885MMP12 18/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 ADAM17 27/4885MMP2 3/4885MMP12 20/4885

“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.