SCHEMBL2249648

SCHEMBL2249648

NC(=O)CC[C@H](NCC1CC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
FOLH1 Q04609 2/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
ACE P12821 1/20 0.34
GGT1 P19440 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL2249643 0.79 TDP1 (0.41) BLMTDP1FOLH1RIMKLANAALAD2
SCHEMBL383310 0.78 TDP1 (0.42) TDP1SLC1A3SLC1A2SLC1A1ACE
SCHEMBL21213981 0.78 SLC1A3 (0.36) KMT2ATDP1FOLH1RIMKLANAALAD2
SCHEMBL2248405 0.76 HSD11B1 (0.39) KMT2AALOX15BLMPMP22MMP2
SCHEMBL22412993 0.76 NOD1 (0.41) KMT2ACA2ACEITGB3ITGA2B
SCHEMBL8768913 0.76 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL29264907 0.76 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL8768917 0.76 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL29264908 0.76 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL149082 0.76 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2

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 6 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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 2364/4885ALOX15 2170/4885BLM 4846/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885ALOX15 2170/4885BLM 4846/4885

“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.