SCHEMBL2252014

SCHEMBL2252014

CCC(C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ TLR2 O60603 4/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 2/20 0.44

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
SCHEMBL2247204 0.91 MDM4 (0.49) MDM4TP53TLR2CASP3KMT2A
SCHEMBL30524109 0.91 MDM4 (0.49) MDM4TP53TLR2CASP3KMT2A
SCHEMBL2254028 0.89 MDM4 (0.47) MDM4TP53TLR2CASP3PTPN1
SCHEMBL23421235 0.86 TLR2 (0.49) MDM4TP53TLR2CASP3KMT2A
SCHEMBL29682648 0.86 TLR2 (0.49) MDM4TP53TLR2CASP3KMT2A
SCHEMBL29682496 0.86 KMT2A (0.50) MDM4TP53TLR2CASP3KMT2A
SCHEMBL23421255 0.86 KMT2A (0.50) MDM4TP53TLR2CASP3KMT2A
SCHEMBL2246532 0.86 CYP3A4 (0.45) MDM4TP53PTPN1
SCHEMBL2248534 0.86 MDM4 (0.46) MDM4TP53TLR2CASP3KMT2A
SCHEMBL12681417 0.84 PTPN1 (0.50) MDM4TP53TLR2CASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MDM4 4353/4885TP53 4136/4885TLR2 3900/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MDM4 4353/4885TP53 4136/4885TLR2 3900/4885

“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.

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