SCHEMBL2244029

SCHEMBL2244029

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
PTPN1 P18031 3/20 0.49
TLR2 O60603 4/20 0.49
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 1/20 0.44
TPSAB1 Q15661 1/20 0.43

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
SCHEMBL2244939 1.00 KMT2A (0.64) KMT2APTPN1TLR2MDM4TP53
SCHEMBL2244979 0.91 KMT2A (0.62) KMT2APTPN1TLR2
SCHEMBL2244741 0.91 KMT2A (0.62) KMT2APTPN1TLR2
SCHEMBL31282864 0.91 KMT2A (0.62) KMT2APTPN1TLR2
SCHEMBL2251703 0.90 KMT2A (0.61) KMT2APTPN1TLR2
SCHEMBL29661423 0.90 KMT2A (0.58) KMT2APTPN1TLR2MDM4TP53
SCHEMBL2245107 0.89 KMT2A (0.60) KMT2APTPN1TLR2
SCHEMBL3577538 0.89 KMT2A (0.59) KMT2APTPN1TLR2
SCHEMBL13083570 0.89 KMT2A (0.57) KMT2ATLR2MDM4TP53
SCHEMBL2251917 0.88 KMT2A (0.58) KMT2APTPN1TLR2

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