SCHEMBL5038759

SCHEMBL5038759

CC(C)C[C@H](CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.42
CACNA2D1 P54289 2/20 0.40
CACNB3 P54284 1/20 0.40
CACNA1C Q13936 1/20 0.40
PGR P06401 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CACNA2D2 Q9NY47 1/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 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
SCHEMBL8797056 1.00 MME (0.42) MMECACNA2D1CACNB3CACNA1CPGR
SCHEMBL28086823 0.86 KMT2A (0.39) ADRA1ATDP1CA1CA2CA7
SCHEMBL8129976 0.86 CYP2D6 (0.33) MMECACNA2D1CACNB3CACNA1CPGR
SCHEMBL764175 0.82 FOLH1 (0.39) CTSLCTSBCTSSCTSK
SCHEMBL16350134 0.82 FOLH1 (0.39) CTSLCTSBCTSSCTSK
SCHEMBL3996454 0.82 CTSK (0.34) ADRA1ACTSSCTSKSLC1A3SLC1A2
SCHEMBL3996456 0.82 CTSK (0.34) ADRA1ACTSSCTSKSLC1A3SLC1A2
SCHEMBL21996181 0.81 CA2 (0.37) CTSSCTSKCA1CA2MEN1
SCHEMBL6250770 0.79 CYP2D6 (0.39) CA2AAK1MEN1KMT2AGAA
SCHEMBL8133983 0.79 CYP2D6 (0.39) CA2AAK1MEN1KMT2AGAA

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-20080279769-A1 Enzyme Inhibitor Imaging Agents SOLBAKKEN MAGNE 2008-11-13 US disclosed
EP-1796736-A2 METALLOPROTEINASE INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2007-06-20 EP disclosed
WO-2006032911-A2 METALLOPROTEINASE INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2006-03-30 WO disclosed
EP-0777646-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2001-09-05 EP disclosed
EP-0874799-B1 PREPARATION OF ALLYL SUCCINATE DERIVATIVES AND STARTING MATERIALS THEREFOR BRITISH BIOTECH PHARM (GB) 2000-05-31 EP disclosed
US-5952320-A USEFUL IN THE TREATMENT OF DISEASES IN WHICH MATRIX METALLOPROTEINASE PLAY A ROLE; MATRIX METALLOPROTEINASE INHIBITING COMPOSITIONS ABBOTT LABORATORIES (US) 1999-09-14 US disclosed
US-5936116-A Preparation of allyl succinate derivatives and starting materials therefor BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-10 US disclosed
US-5763621-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-09 US disclosed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed
WO-1996006074-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-02-29 WO disclosed
EP-0445206-B1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS BRITISH BIO TECHNOLOGY (GB) 1994-03-16 EP 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-20080279769-A1 Enzyme Inhibitor Imaging Agents MMP3, MMP1, MMP10 MME 36/4885CACNA2D1 3799/4885CACNB3 3144/4885

“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.