SCHEMBL2247315

SCHEMBL2247315

C[C@@H](CN[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
GRIA4 P48058 3/20 0.41
SLC1A5 Q15758 1/20 0.41
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HAT1 O14929 1/20 0.38
EP300 Q09472 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL5651555 0.85 KDM4E (0.51) KDM4EMMP2MMP9PDCD1CD274
SCHEMBL2254173 0.84 SRD5A2 (0.41) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL4357430 0.82 KDM4E (0.46) KDM4EMMP2MMP9PDCD1CD274
SCHEMBL4369490 0.81 KDM4E (0.44) KDM4EMMP2MMP9PDCD1CD274
SCHEMBL5654173 0.81 KDM4E (0.44) KDM4EMMP2MMP9PDCD1CD274
SCHEMBL5651549 0.78 KDM4E (0.44) KDM4EMMP2MMP9SLC1A5NPC1
SCHEMBL5655905 0.78 KDM4E (0.42) KDM4EMMP2MMP9SLC1A5SMN1; SMN2
SCHEMBL5651085 0.78 RAB9A (0.43) KDM4EMMP2MMP9NPC1RAB9A
SCHEMBL4365892 0.78 KDM4E (0.42) KDM4EMMP2MMP9SLC1A5SMN1; SMN2
SCHEMBL4365446 0.78 KDM4E (0.46) KDM4EMMP2MMP9PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
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 (2 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 KDM4E 1232/4885MMP2 49/4885MMP9 27/4885
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.