SCHEMBL6595653

SCHEMBL6595653

Cc1cc(Cn2ccc3cc(C(=O)NC4(CC(=O)O)CCOCC4)ccc32)c2c(n1)CC=CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAMTS1 Q9UHI8 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PPARG P37231 12/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL5898009 0.80 PPARG (0.42) PPARGHDAC11HDAC8HDAC6HDAC3
SCHEMBL6596093 0.78 ADAM17 (0.66) MMP3MMP7ADAMTS4ADAM17ADAMTS1
SCHEMBL5898132 0.78 HDAC8 (0.40) PPARGHDAC11HDAC8HDAC6HDAC3
Trifluoroacetic Acid SCHEMBL6596989 0.75 ADAM17 (0.61) MMP3MMP7ADAMTS4ADAM17ADAMTS1
SCHEMBL6596995 0.74 ADAM17 (0.54) MMP3MMP7ADAMTS4ADAM17ADAMTS1
SCHEMBL7482185 0.72 NR1H2 (0.39) PPARG
SCHEMBL6597942 0.69 ADAM17 (0.66) MMP3MMP7ADAMTS4ADAM17ADAMTS1
Trifluoroacetic Acid SCHEMBL6597018 0.66 ADAM17 (0.61) MMP3MMP7ADAMTS4ADAM17ADAMTS1
SCHEMBL1756728 0.63 CCR1 (0.51) MMP3MMP7ADAMTS4ADAM17ADAMTS1
Trifluoroacetic Acid SCHEMBL7439702 0.62 ADAM17 (0.60) MMP3MMP7ADAMTS4ADAM17ADAMTS1

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 4 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 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
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 (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 MMP3 12/4885MMP7 20/4885ADAMTS4 68/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 MMP3 7/4885MMP7 13/4885ADAMTS4 61/4885

“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.