SCHEMBL4357430

SCHEMBL4357430

COCCN[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC1A5 Q15758 1/20 0.41
MAPT P10636 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HPGD P15428 1/20 0.39
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PTPN1 P18031 1/20 0.38
HDAC1 Q13547 1/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP26A1 O43174 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL5651549 0.83 KDM4E (0.44) KDM4EMMP2MMP9RAB9ANPC1
SCHEMBL5651555 0.82 KDM4E (0.51) KDM4EMMP2MMP9RAB9ANPC1
SCHEMBL2247315 0.82 KDM4E (0.46) KDM4EMMP2MMP9RAB9ANPC1
SCHEMBL5654173 0.81 KDM4E (0.44) KDM4EMMP2MMP9SMN1; SMN2SLC1A5
SCHEMBL4369490 0.81 KDM4E (0.44) KDM4EMMP2MMP9RAB9ANPC1
SCHEMBL4365892 0.80 KDM4E (0.42) KDM4EMMP2MMP9RAB9ANPC1
SCHEMBL4364953 0.79 CD274 (0.53) NPC1MAPTCD274HPGD
SCHEMBL4363953 0.79 HIF1A (0.45) KDM4ESMN1; SMN2MAPTHPGDHDAC1
SCHEMBL2251695 0.79 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2MAPTHPGDHDAC1
SCHEMBL5651085 0.78 RAB9A (0.43) KDM4EMMP2MMP9RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KDM4E 1232/4885MMP2 49/4885MMP9 27/4885

“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.