SCHEMBL2248405

SCHEMBL2248405

NC(=O)CC[C@H](NCC1C2CC3CC(C2)CC1C3)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
CA2 P00918 5/20 0.34
CA1 P00915 4/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CPB2 Q96IY4 1/20 0.32
FOLH1 Q04609 1/20 0.31
RIMKLA Q8IXN7 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31

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
SCHEMBL2248402 0.82 HSD11B1 (0.42) HSD11B1MMP2L3MBTL1FOLH1RIMKLA
SCHEMBL2251861 0.79 L3MBTL1 (0.38) HSD11B1KMT2AALOX15BLMPMP22
SCHEMBL2249648 0.76 KMT2A (0.41) KMT2AALOX15BLMPMP22MMP2
SCHEMBL4654597 0.70 CPB2 (0.39) KMT2ACA2CA1L3MBTL1CPB2
SCHEMBL149082 0.70 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL8768913 0.70 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL29264907 0.70 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL29264908 0.70 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL8768917 0.70 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL516527 0.69 KMT2A (0.47) 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 HSD11B1 3639/4885KMT2A 2364/4885ALOX15 2170/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD11B1 3639/4885KMT2A 2364/4885ALOX15 2170/4885

“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.