SCHEMBL4818312

SCHEMBL4818312

CN1C(=O)N(CCC(Br)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.43
MMP2 P08253 12/20 0.43
MMP3 P08254 9/20 0.43
MMP9 P14780 8/20 0.43
MMP13 P45452 8/20 0.43
MMP1 P03956 11/20 0.38
MMP7 P09237 2/20 0.38
MMP14 P50281 2/20 0.38
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MMP8 P22894 5/20 0.34
KMT2A Q03164 1/20 0.33
ADAM17 P78536 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL4822556 1.00 PLA2G7 (0.43) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL4818302 1.00 PLA2G7 (0.43) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL14156368 0.80 PLA2G7 (0.44) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6949966 0.79 PLA2G7 (0.44) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL7028144 0.78 MMP2 (0.44) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL7608470 0.76 MMP2 (0.40) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL4756856 0.72 KMT2A (0.56) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6945464 0.71 PLA2G7 (0.49) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL422413 0.71 PLA2G7 (0.49) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6547554 0.70 POLB (0.39) LCKPPARDZDHHC20ZDHHC2KMT2A

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-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
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US 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
EP-1324975-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS Bristol-Myers Squibb Company (US) 2003-07-09 EP disclosed
EP-0859784-B1 THIO-SUBSTITUTED PEPTIDES AS INHIBITORS FOR METALLOPROTEINASES AND TNF LIBERATION DARWIN DISCOVERY LTD (GB) 2002-12-18 EP disclosed
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US disclosed
WO-2002028809-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 WO disclosed
US-5981490-A ADMINISTERING A PEPTIDYL COMPOUND FOR TREATMENT IN A HUMAN OR ANIMAL OF A CONDITION ASSOCIATED WITH MATRIX METALIOPROTEINASES OR THAT IS MEDIATED BY TUMOR NECROSIS FACTOR ALPHA OR L-SELECTIN SHEDDASE DARWIN DISCOVERY, LTD. (GB) 1999-11-09 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 2290/4885MMP3 1282/4885

“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.