SCHEMBL2247395

SCHEMBL2247395

CC(C)OCCCNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
TLR2 O60603 6/20 0.53
PTPN1 P18031 3/20 0.51
GAA P10253 1/20 0.45

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
SCHEMBL3577538 0.89 KMT2A (0.59) KMT2ATLR2PTPN1
SCHEMBL2251703 0.88 KMT2A (0.61) KMT2ATLR2PTPN1
SCHEMBL2245085 0.88 PTPN1 (0.56) KMT2ATLR2PTPN1
SCHEMBL29661423 0.87 KMT2A (0.58) KMT2ATLR2PTPN1
SCHEMBL2244741 0.87 KMT2A (0.62) KMT2ATLR2PTPN1
SCHEMBL31282864 0.87 KMT2A (0.62) KMT2ATLR2PTPN1
SCHEMBL2244979 0.87 KMT2A (0.62) KMT2ATLR2PTPN1
SCHEMBL2248002 0.87 KMT2A (0.53) KMT2ATLR2PTPN1
SCHEMBL24401717 0.86 KMT2A (0.55) KMT2ATLR2PTPN1
SCHEMBL2242449 0.86 KMT2A (0.55) KMT2ATLR2PTPN1

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 KMT2A 2364/4885TLR2 3900/4885PTPN1 4403/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885TLR2 3900/4885PTPN1 4403/4885

“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.