SCHEMBL5898009

SCHEMBL5898009

Cc1cc(Cn2ccc3cc(C(=O)O)ccc32)c2c(n1)CC=CC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.42
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PLA2G4A P47712 1/20 0.38
PLAU P00749 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL7482185 0.91 NR1H2 (0.39) PPARGPLA2G4APLAU
SCHEMBL5898132 0.91 HDAC8 (0.40) PPARGHDAC8HDAC6HDAC3HDAC1
SCHEMBL6595653 0.80 MMP3 (0.41) PPARGHDAC8HDAC6HDAC3HDAC1
SCHEMBL28565969 0.73 PPARG (0.53) PPARG
SCHEMBL28563193 0.70 HDAC6 (0.68) PPARGHDAC8HDAC6HDAC3HDAC1
SCHEMBL5387474 0.69 TUBB4A (0.59) PPARGHDAC8HDAC6PLA2G4APLAU
SCHEMBL14121203 0.69 PPARG (0.50) PPARGHDAC8HDAC6HDAC3HDAC1
SCHEMBL28566467 0.69 PLAU (0.56) PPARGHDAC8HDAC6HDAC3HDAC1
SCHEMBL15971036 0.69 PLAU (0.57) PPARGHDAC8HDAC6HDAC3HDAC1
SCHEMBL30888879 0.69 PLAU (0.57) PPARGHDAC8HDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha LU ZHONGHUI (US) 2004-08-19 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 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
CN-1481377-A Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteinases and TNF-alpha ����˹�ж�-����˹˹����ҩƷ��˾ 2004-03-10 CN 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-1263755-A2 CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 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
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) 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 (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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP PPARG 4804/4885HDAC8 1352/4885HDAC6 2524/4885
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha TNF, XPNPEP1, MMP2 PPARG 4589/4885HDAC8 1495/4885HDAC6 2192/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP PPARG 4804/4885HDAC8 1352/4885HDAC6 2524/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 PPARG 4622/4885HDAC8 1253/4885HDAC6 1834/4885

“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.