SCHEMBL4365892

SCHEMBL4365892

COc1cc(CN[C@@H](CCC(N)=O)C(=O)OC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TACR1 P25103 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RXRA P19793 1/20 0.38
SMPD1 P17405 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC1A5 Q15758 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
SCHEMBL2251695 0.88 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2251183 0.85 MAPT (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2253178 0.85 KMT2A (0.40) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4369490 0.85 KDM4E (0.44) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2252347 0.84 TUBB4A (0.41) SMN1; SMN2KMT2AMEN1
SCHEMBL2247822 0.84 ABCB1 (0.39) KMT2AMEN1POLBGAASMPD1
SCHEMBL5653527 0.84 SMN1; SMN2 (0.47) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2247306 0.83 MAOB (0.39) SMPD1
SCHEMBL2249304 0.83 MAOB (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5651085 0.82 RAB9A (0.43) KDM4ENPC1RAB9AMMP2MMP9

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 1232/4885NPC1 3103/4885RAB9A 3609/4885

“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.