SCHEMBL4820309

SCHEMBL4820309

CN1C(=O)N(CC[C@H](SC(=O)c2ccccc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.46
MMP2 P08253 14/20 0.45
MMP9 P14780 12/20 0.45
MMP3 P08254 4/20 0.45
MMP13 P45452 2/20 0.45
MMP1 P03956 3/20 0.36
ATM Q13315 1/20 0.34
MMP7 P09237 1/20 0.33
MMP14 P50281 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4824816 1.00 PLA2G7 (0.46) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL4820321 1.00 PLA2G7 (0.46) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL14163518 0.86 PLA2G7 (0.47) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL14156580 0.86 PLA2G7 (0.47) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6935034 0.84 MMP9 (0.46) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6935035 0.84 MMP9 (0.46) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL14163520 0.83 PLA2G7 (0.44) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL7608470 0.82 MMP2 (0.40) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6378151 0.78 PLA2G7 (0.48) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6370069 0.78 PLA2G7 (0.48) PLA2G7MMP2MMP9MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US claimed
EP-1324975-B1 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL MYERS SQUIBB CO (US) 2005-11-16 EP claimed
EP-1324975-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS Bristol-Myers Squibb Company (US) 2003-07-09 EP claimed
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US claimed
WO-2002028809-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 WO claimed
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1324975-B1 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL MYERS SQUIBB CO (US) 2005-11-16 EP disclosed
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 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 (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-20020111512-A1 Dynamic resolution of isomers and resolved isomers DHCR24, LPAR1, SLC7A1 PLA2G7 3331/4885MMP2 2290/4885MMP9 2426/4885

“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.